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

C11H17ClN4 — CID 97164469

IUPAC6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCNC1)c1cc(Cl)ncn1
InChIInChI=1S/C11H17ClN4/c1-16(7-9-3-2-4-13-6-9)11-5-10(12)14-8-15-11/h5,8-9,13H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyZDYIWDWNUBEMDJ-SECBINFHSA-N
MW240.74 g/mol
LogP1.57
Rot. Bonds3

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

6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 97164469) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID97164469
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCNC1)c1cc(Cl)ncn1
InChIInChI=1S/C11H17ClN4/c1-16(7-9-3-2-4-13-6-9)11-5-10(12)14-8-15-11/h5,8-9,13H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyZDYIWDWNUBEMDJ-SECBINFHSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642815
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
6-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860661
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine (CID 97164469) is 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine is CN(C[C@@H]1CCCNC1)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is ZDYIWDWNUBEMDJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16(7-9-3-2-4-13-6-9)11-5-10(12)14-8-15-11/h5,8-9,13H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 97164469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).