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

C11H17ClN4 — CID 97164172

IUPAC4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
SMILESCN(C[C@H]1CCCCN1)c1nccc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-16(8-9-4-2-3-6-13-9)11-14-7-5-10(12)15-11/h5,7,9,13H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyYANZZSAWRMEVPE-SECBINFHSA-N
MW240.74 g/mol
LogP1.71
Rot. Bonds3

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

4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 97164172) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID97164172
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
SMILESCN(C[C@H]1CCCCN1)c1nccc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-16(8-9-4-2-3-6-13-9)11-14-7-5-10(12)15-11/h5,7,9,13H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyYANZZSAWRMEVPE-SECBINFHSA-N
XLogP1.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106618723
5-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
N-methyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106635602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine (CID 97164172) is 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine is CN(C[C@H]1CCCCN1)c1nccc(Cl)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is YANZZSAWRMEVPE-SECBINFHSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16(8-9-4-2-3-6-13-9)11-14-7-5-10(12)15-11/h5,7,9,13H,2-4,6,8H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine?
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 240.74 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97164172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).