[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine

C15H24N4 — CID 116902705

IUPAC[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCN1CCCC(c2ccnc(C3(CN)CCC3)n2)C1
InChIInChI=1S/C15H24N4/c1-19-9-2-4-12(10-19)13-5-8-17-14(18-13)15(11-16)6-3-7-15/h5,8,12H,2-4,6-7,9-11,16H2,1H3
InChIKeyWJVHBKGHYHAALV-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.67
Rot. Bonds3

About [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine

[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine (PubChem CID 116902705) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
PubChem CID116902705
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCN1CCCC(c2ccnc(C3(CN)CCC3)n2)C1
InChIInChI=1S/C15H24N4/c1-19-9-2-4-12(10-19)13-5-8-17-14(18-13)15(11-16)6-3-7-15/h5,8,12H,2-4,6-7,9-11,16H2,1H3
InChIKeyWJVHBKGHYHAALV-UHFFFAOYSA-N
XLogP1.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol
CID 116902950
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054
[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine
CID 116902990
[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902577
2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
[1-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865386
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754
2-[(3S)-1-methylpiperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124641610
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95839018
N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902732

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine (CID 116902705) is [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine is CN1CCCC(c2ccnc(C3(CN)CCC3)n2)C1.
What is the InChIKey of [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
The InChIKey is WJVHBKGHYHAALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-19-9-2-4-12(10-19)13-5-8-17-14(18-13)15(11-16)6-3-7-15/h5,8,12H,2-4,6-7,9-11,16H2,1H3.
What are the key properties of [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116902705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).