2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine

C15H26N4 — CID 116898479

IUPAC2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
SMILESCN1CCCC(c2ccnc(CCC(C)(C)N)n2)C1
InChIInChI=1S/C15H26N4/c1-15(2,16)8-6-14-17-9-7-13(18-14)12-5-4-10-19(3)11-12/h7,9,12H,4-6,8,10-11,16H2,1-3H3
InChIKeyOBHQUKSVHDUHRG-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.96
Rot. Bonds4

About 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine

2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine (PubChem CID 116898479) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
PubChem CID116898479
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
SMILESCN1CCCC(c2ccnc(CCC(C)(C)N)n2)C1
InChIInChI=1S/C15H26N4/c1-15(2,16)8-6-14-17-9-7-13(18-14)12-5-4-10-19(3)11-12/h7,9,12H,4-6,8,10-11,16H2,1-3H3
InChIKeyOBHQUKSVHDUHRG-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898480
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705
2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
CID 116988801
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 116898933
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888539
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine (CID 116898479) is 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine is CN1CCCC(c2ccnc(CCC(C)(C)N)n2)C1.
What is the InChIKey of 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine?
The InChIKey is OBHQUKSVHDUHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,16)8-6-14-17-9-7-13(18-14)12-5-4-10-19(3)11-12/h7,9,12H,4-6,8,10-11,16H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine?
2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine is sourced from PubChem (CID 116898479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).