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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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).