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

C15H26N4 — CID 116893070

IUPAC4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
SMILESCc1cc(C2CCN(C)CC2)nc(CCC(C)N)n1
InChIInChI=1S/C15H26N4/c1-11(16)4-5-15-17-12(2)10-14(18-15)13-6-8-19(3)9-7-13/h10-11,13H,4-9,16H2,1-3H3
InChIKeyPKCKQYDFOHICQD-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.87
Rot. Bonds4

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

4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine (PubChem CID 116893070) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
PubChem CID116893070
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
SMILESCc1cc(C2CCN(C)CC2)nc(CCC(C)N)n1
InChIInChI=1S/C15H26N4/c1-11(16)4-5-15-17-12(2)10-14(18-15)13-6-8-19(3)9-7-13/h10-11,13H,4-9,16H2,1-3H3
InChIKeyPKCKQYDFOHICQD-UHFFFAOYSA-N
XLogP1.87
TPSA55.04 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893068
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile
CID 116895150
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130
N-[[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893231
2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
CID 116896890
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine
CID 116968277
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
CID 116893049
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
CID 116894539
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116964946

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine?
The IUPAC name of 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine (CID 116893070) is 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine.
What is the SMILES notation for 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine?
The canonical SMILES for 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine is Cc1cc(C2CCN(C)CC2)nc(CCC(C)N)n1.
What is the InChIKey of 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine?
The InChIKey is PKCKQYDFOHICQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(16)4-5-15-17-12(2)10-14(18-15)13-6-8-19(3)9-7-13/h10-11,13H,4-9,16H2,1-3H3.
What are the key properties of 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine?
4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine is sourced from PubChem (CID 116893070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).