6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

C13H21ClN4 — CID 63235310

IUPAC6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C13H21ClN4/c1-10-15-12(14)8-13(16-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3
InChIKeyCQLLFUQNAIYDJW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.22
Rot. Bonds3

About 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 63235310) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID63235310
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C13H21ClN4/c1-10-15-12(14)8-13(16-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3
InChIKeyCQLLFUQNAIYDJW-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80951430
2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562605
2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 115143377
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 83156478
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carboxylic acid
CID 55170476
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860494
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 63235310) is 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is Cc1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is CQLLFUQNAIYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-15-12(14)8-13(16-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63235310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).