2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide

C35H50ClN17O3S — CID 158037569

IUPAC2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide
SMILESCC(=O)NC1CCNC1.CC(C)(C)OC(=O)NC1CCN(c2cc(N)ncn2)C1.N#Cc1cnc(Nc2cc(N3CCC(N)C3)ncn2)s1.Nc1cc(Cl)ncn1
InChIInChI=1S/C13H21N5O2.C12H13N7S.C6H12N2O.C4H4ClN3/c1-13(2,3)20-12(19)17-9-4-5-18(7-9)11-6-10(14)15-8-16-11;13-4-9-5-15-12(20-9)18-10-3-11(17-7-16-10)19-2-1-8(14)6-19;1-5(9)8-6-2-3-7-4-6;5-3-1-4(6)8-2-7-3/h6,8-9H,4-5,7H2,1-3H3,(H,17,19)(H2,14,15,16);3,5,7-8H,1-2,6,14H2,(H,15,16,17,18);6-7H,2-4H2,1H3,(H,8,9);1-2H,(H2,6,7,8)
InChIKeyFHYGPDFHUUBEDC-UHFFFAOYSA-N
MW824.42 g/mol
LogP2.44
Rot. Bonds6

About 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide

2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide (PubChem CID 158037569) has the molecular formula C35H50ClN17O3S and a molecular weight of 824.42 g/mol. Its IUPAC name is 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide
PubChem CID158037569
Molecular FormulaC35H50ClN17O3S
Molecular Weight824.42 g/mol
Exact Mass823.37
IUPAC Name2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide
SMILESCC(=O)NC1CCNC1.CC(C)(C)OC(=O)NC1CCN(c2cc(N)ncn2)C1.N#Cc1cnc(Nc2cc(N3CCC(N)C3)ncn2)s1.Nc1cc(Cl)ncn1
InChIInChI=1S/C13H21N5O2.C12H13N7S.C6H12N2O.C4H4ClN3/c1-13(2,3)20-12(19)17-9-4-5-18(7-9)11-6-10(14)15-8-16-11;13-4-9-5-15-12(20-9)18-10-3-11(17-7-16-10)19-2-1-8(14)6-19;1-5(9)8-6-2-3-7-4-6;5-3-1-4(6)8-2-7-3/h6,8-9H,4-5,7H2,1-3H3,(H,17,19)(H2,14,15,16);3,5,7-8H,1-2,6,14H2,(H,15,16,17,18);6-7H,2-4H2,1H3,(H,8,9);1-2H,(H2,6,7,8)
InChIKeyFHYGPDFHUUBEDC-UHFFFAOYSA-N
XLogP2.44
TPSA290.05 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.42
LogP ≤ 52.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide with MolForge

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Related Compounds

2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane
CID 142145219
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
tert-butyl N-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 86331531
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699
CID 158309296
CID 158309296
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
tert-butyl N-[(3S)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]carbamate;(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-amine;trihydrochloride
CID 162046922
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
tert-butyl N-[(3S)-1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]carbamate
CID 133380847
tert-butyl N-[1-(5-cyano-3-pyridinyl)piperidin-4-yl]carbamate
CID 66756810
tert-butyl N-[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 71634263

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide (CID 158037569) is 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide is CC(=O)NC1CCNC1.CC(C)(C)OC(=O)NC1CCN(c2cc(N)ncn2)C1.N#Cc1cnc(Nc2cc(N3CCC(N)C3)ncn2)s1.Nc1cc(Cl)ncn1.
What is the InChIKey of 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide?
The InChIKey is FHYGPDFHUUBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2.C12H13N7S.C6H12N2O.C4H4ClN3/c1-13(2,3)20-12(19)17-9-4-5-18(7-9)11-6-10(14)15-8-16-11;13-4-9-5-15-12(20-9)18-10-3-11(17-7-16-10)19-2-1-8(14)6-19;1-5(9)8-6-2-3-7-4-6;5-3-1-4(6)8-2-7-3/h6,8-9H,4-5,7H2,1-3H3,(H,17,19)(H2,14,15,16);3,5,7-8H,1-2,6,14H2,(H,15,16,17,18);6-7H,2-4H2,1H3,(H,8,9);1-2H,(H2,6,7,8).
What are the key properties of 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide?
2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide has a molecular weight of 824.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 158037569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).