4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine

C9H13ClN4 — CID 97163818

IUPAC4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESClc1ccnc(NC[C@H]2CCNC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-2-4-12-9(14-8)13-6-7-1-3-11-5-7/h2,4,7,11H,1,3,5-6H2,(H,12,13,14)/t7-/m0/s1
InChIKeySVNJCDRCZCCTHW-ZETCQYMHSA-N
MW212.68 g/mol
LogP1.15
Rot. Bonds3

About 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine

4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 97163818) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID97163818
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESClc1ccnc(NC[C@H]2CCNC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-2-4-12-9(14-8)13-6-7-1-3-11-5-7/h2,4,7,11H,1,3,5-6H2,(H,12,13,14)/t7-/m0/s1
InChIKeySVNJCDRCZCCTHW-ZETCQYMHSA-N
XLogP1.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
CID 58495643
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 71564412
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine
CID 123386788
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708209
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine (CID 97163818) is 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine is Clc1ccnc(NC[C@H]2CCNC2)n1.
What is the InChIKey of 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is SVNJCDRCZCCTHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-2-4-12-9(14-8)13-6-7-1-3-11-5-7/h2,4,7,11H,1,3,5-6H2,(H,12,13,14)/t7-/m0/s1.
What are the key properties of 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 212.68 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97163818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).