5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine

C10H15ClN4 — CID 80764655

IUPAC5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCCCC2)n1
InChIInChI=1S/C10H15ClN4/c1-12-10-13-7-8(11)9(14-10)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyKKWDBXBCDMCLNT-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.16
Rot. Bonds2

About 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine

5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 80764655) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID80764655
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCCCC2)n1
InChIInChI=1S/C10H15ClN4/c1-12-10-13-7-8(11)9(14-10)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyKKWDBXBCDMCLNT-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 80932155
5-chloro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80804460
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 113336405
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
[4-(azetidin-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 130548753
5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80847602
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 107396385
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80833659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine (CID 80764655) is 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine is CNc1ncc(Cl)c(N2CCCCC2)n1.
What is the InChIKey of 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is KKWDBXBCDMCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-12-10-13-7-8(11)9(14-10)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine?
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 80764655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).