4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine

C14H24N4 — CID 80824282

IUPAC4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-5-15-13-16-10-11(2)12(17-13)18-8-6-14(3,4)7-9-18/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyHSIXMTMRWZLRDV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.84
Rot. Bonds3

About 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine

4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 80824282) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID80824282
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-5-15-13-16-10-11(2)12(17-13)18-8-6-14(3,4)7-9-18/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyHSIXMTMRWZLRDV-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine (CID 80824282) is 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(N2CCC(C)(C)CC2)n1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is HSIXMTMRWZLRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-15-13-16-10-11(2)12(17-13)18-8-6-14(3,4)7-9-18/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine?
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80824282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).