6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine

C11H17ClN4 — CID 63730271

IUPAC6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC1CCN(C)CC1
InChIInChI=1S/C11H17ClN4/c1-8-10(12)13-7-14-11(8)15-9-3-5-16(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQFEZKJKNIPJYFK-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.94
Rot. Bonds2

About 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine

6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 63730271) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID63730271
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC1CCN(C)CC1
InChIInChI=1S/C11H17ClN4/c1-8-10(12)13-7-14-11(8)15-9-3-5-16(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQFEZKJKNIPJYFK-UHFFFAOYSA-N
XLogP1.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
CID 66367770
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042
6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83022753
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 64923632
6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 63728358
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
6-hydrazinyl-N-(1-methylpiperidin-4-yl)-5-propylpyrimidin-4-amine
CID 80895120
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 106193688

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine (CID 63730271) is 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine is Cc1c(Cl)ncnc1NC1CCN(C)CC1.
What is the InChIKey of 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is QFEZKJKNIPJYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-10(12)13-7-14-11(8)15-9-3-5-16(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 63730271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).