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

C16H28N4 — CID 103504582

IUPACN,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC(C(C)C)CC2)c1CC
InChIInChI=1S/C16H28N4/c1-5-14-15(17-6-2)18-11-19-16(14)20-9-7-13(8-10-20)12(3)4/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLHBSASPNMPVFOE-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.34
Rot. Bonds5

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

N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 103504582) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID103504582
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC(C(C)C)CC2)c1CC
InChIInChI=1S/C16H28N4/c1-5-14-15(17-6-2)18-11-19-16(14)20-9-7-13(8-10-20)12(3)4/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLHBSASPNMPVFOE-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.34
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-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine (CID 103504582) is N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine is CCNc1ncnc(N2CCC(C(C)C)CC2)c1CC.
What is the InChIKey of N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is LHBSASPNMPVFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-14-15(17-6-2)18-11-19-16(14)20-9-7-13(8-10-20)12(3)4/h11-13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 103504582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).