(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine

C11H17ClN4 — CID 71641741

IUPAC(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1ccnc(Cl)n1)[C@@H]1CCCNC1
InChIInChI=1S/C11H17ClN4/c1-16(10-3-2-5-13-7-10)8-9-4-6-14-11(12)15-9/h4,6,10,13H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeyRGDZPMFTIHBYAI-SNVBAGLBSA-N
MW240.74 g/mol
LogP1.31
Rot. Bonds3

About (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine

(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 71641741) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID71641741
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1ccnc(Cl)n1)[C@@H]1CCCNC1
InChIInChI=1S/C11H17ClN4/c1-16(10-3-2-5-13-7-10)8-9-4-6-14-11(12)15-9/h4,6,10,13H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeyRGDZPMFTIHBYAI-SNVBAGLBSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 63644109
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride
CID 71641763
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
CID 71640488
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 71642488
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine (CID 71641741) is (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine is CN(Cc1ccnc(Cl)n1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is RGDZPMFTIHBYAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16(10-3-2-5-13-7-10)8-9-4-6-14-11(12)15-9/h4,6,10,13H,2-3,5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine?
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 240.74 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 71641741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).