2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

C17H21N5 — CID 172900331

IUPAC2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cncc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)c1
InChIInChI=1S/C17H21N5/c1-2-13(10-18-7-1)11-22-9-6-15(12-22)20-16-5-8-19-17(21-16)14-3-4-14/h1-2,5,7-8,10,14-15H,3-4,6,9,11-12H2,(H,19,20,21)
InChIKeyXGZPWSIUGVYDAC-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172900331) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172900331
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cncc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)c1
InChIInChI=1S/C17H21N5/c1-2-13(10-18-7-1)11-22-9-6-15(12-22)20-16-5-8-19-17(21-16)14-3-4-14/h1-2,5,7-8,10,14-15H,3-4,6,9,11-12H2,(H,19,20,21)
InChIKeyXGZPWSIUGVYDAC-UHFFFAOYSA-N
XLogP2.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904212
2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902746
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
2-cyclopropyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172901039
N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 11722582
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 172881578

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 172900331) is 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is c1cncc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)c1.
What is the InChIKey of 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is XGZPWSIUGVYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-13(10-18-7-1)11-22-9-6-15(12-22)20-16-5-8-19-17(21-16)14-3-4-14/h1-2,5,7-8,10,14-15H,3-4,6,9,11-12H2,(H,19,20,21).
What are the key properties of 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172900331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).