tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate

C17H29N5O2 — CID 67087344

IUPACtert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)CNc1nccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H29N5O2/c1-12(2)10-19-15-18-8-6-14(21-15)22-9-7-13(11-22)20-16(23)24-17(3,4)5/h6,8,12-13H,7,9-11H2,1-5H3,(H,20,23)(H,18,19,21)/t13-/m1/s1
InChIKeyWRXYWMJUXYYJBM-CYBMUJFWSA-N
MW335.45 g/mol
LogP2.65
Rot. Bonds5

About tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 67087344) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
PubChem CID67087344
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Nametert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)CNc1nccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H29N5O2/c1-12(2)10-19-15-18-8-6-14(21-15)22-9-7-13(11-22)20-16(23)24-17(3,4)5/h6,8,12-13H,7,9-11H2,1-5H3,(H,20,23)(H,18,19,21)/t13-/m1/s1
InChIKeyWRXYWMJUXYYJBM-CYBMUJFWSA-N
XLogP2.65
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
tert-butyl N-[(3S)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 86329125
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate (CID 67087344) is tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate is CC(C)CNc1nccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is WRXYWMJUXYYJBM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12(2)10-19-15-18-8-6-14(21-15)22-9-7-13(11-22)20-16(23)24-17(3,4)5/h6,8,12-13H,7,9-11H2,1-5H3,(H,20,23)(H,18,19,21)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 335.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 67087344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).