N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine

C14H24N4 — CID 80767407

IUPACN,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCCC2C)c1CC
InChIInChI=1S/C14H24N4/c1-4-12-13(15-5-2)16-10-17-14(12)18-9-7-6-8-11(18)3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyKYQAOPZQKMIRPK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.85
Rot. Bonds4

About N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine

N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80767407) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID80767407
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCCC2C)c1CC
InChIInChI=1S/C14H24N4/c1-4-12-13(15-5-2)16-10-17-14(12)18-9-7-6-8-11(18)3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyKYQAOPZQKMIRPK-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine (CID 80767407) is N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine is CCNc1ncnc(N2CCCCC2C)c1CC.
What is the InChIKey of N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is KYQAOPZQKMIRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12-13(15-5-2)16-10-17-14(12)18-9-7-6-8-11(18)3/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine?
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80767407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).