N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine

C14H24N4 — CID 54967718

IUPACN-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCN2CCCCC2)ncn1
InChIInChI=1S/C14H24N4/c1-12(2)13-10-14(17-11-16-13)15-6-9-18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyDNRPCVGYHYFQET-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds5

About N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine

N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 54967718) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID54967718
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCN2CCCCC2)ncn1
InChIInChI=1S/C14H24N4/c1-12(2)13-10-14(17-11-16-13)15-6-9-18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyDNRPCVGYHYFQET-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine (CID 54967718) is N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCCN2CCCCC2)ncn1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DNRPCVGYHYFQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(2)13-10-14(17-11-16-13)15-6-9-18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine?
N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 54967718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).