2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

C9H13ClN4 — CID 71638529

IUPAC2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N[C@@H]2CCNC2)nc(Cl)n1
InChIInChI=1S/C9H13ClN4/c1-6-4-8(14-9(10)12-6)13-7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13,14)/t7-/m1/s1
InChIKeyLGKPBOVMGGPLOB-SSDOTTSWSA-N
MW212.68 g/mol
LogP1.21
Rot. Bonds2

About 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 71638529) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID71638529
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N[C@@H]2CCNC2)nc(Cl)n1
InChIInChI=1S/C9H13ClN4/c1-6-4-8(14-9(10)12-6)13-7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13,14)/t7-/m1/s1
InChIKeyLGKPBOVMGGPLOB-SSDOTTSWSA-N
XLogP1.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 59210366
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
CID 78996740
6-methyl-N-[(3R)-pyrrolidin-3-yl]pyridazin-3-amine;hydrochloride
CID 71638623
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71638564
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638563
2-ethyl-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 71638529) is 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cc(N[C@@H]2CCNC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is LGKPBOVMGGPLOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-6-4-8(14-9(10)12-6)13-7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13,14)/t7-/m1/s1.
What are the key properties of 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 212.68 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 71638529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).