6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

C13H21ClN4 — CID 63730175

IUPAC6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCC2CCN(C)CC2)n1
InChIInChI=1S/C13H21ClN4/c1-9-12(14)16-10(2)17-13(9)15-8-11-4-6-18(3)7-5-11/h11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFMHYKADAGOHMGB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.50
Rot. Bonds3

About 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 63730175) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID63730175
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCC2CCN(C)CC2)n1
InChIInChI=1S/C13H21ClN4/c1-9-12(14)16-10(2)17-13(9)15-8-11-4-6-18(3)7-5-11/h11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFMHYKADAGOHMGB-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 63730175) is 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCC2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is FMHYKADAGOHMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-12(14)16-10(2)17-13(9)15-8-11-4-6-18(3)7-5-11/h11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63730175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).