N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C15H26N4 — CID 112908851

IUPACN-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(C)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C15H26N4/c1-5-12(3)16-14-10-13(4)17-15(18-14)19-8-6-11(2)7-9-19/h10-12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyBRSJIKPKVCJHFO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds4

About N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112908851) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112908851
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(C)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C15H26N4/c1-5-12(3)16-14-10-13(4)17-15(18-14)19-8-6-11(2)7-9-19/h10-12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyBRSJIKPKVCJHFO-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112908851) is N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is CCC(C)Nc1cc(C)nc(N2CCC(C)CC2)n1.
What is the InChIKey of N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is BRSJIKPKVCJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-12(3)16-14-10-13(4)17-15(18-14)19-8-6-11(2)7-9-19/h10-12H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112908851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).