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

C10H15ClN4 — CID 97162852

IUPAC2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NC[C@H]2CCCN2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(15-10(11)14-7)13-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyJAMQAPMYYSFQCX-MRVPVSSYSA-N
MW226.71 g/mol
LogP1.60
Rot. Bonds3

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

2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 97162852) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID97162852
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NC[C@H]2CCCN2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(15-10(11)14-7)13-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyJAMQAPMYYSFQCX-MRVPVSSYSA-N
XLogP1.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911292
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643190
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
CID 97162856
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
CID 106196952
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 97162852) is 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine is Cc1cc(NC[C@H]2CCCN2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is JAMQAPMYYSFQCX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-5-9(15-10(11)14-7)13-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of 2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.60, 3 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-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 97162852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).