[3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol

C15H26N4O — CID 155717565

IUPAC[3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1ncnc(N2CCCC(CO)(CCCN)C2)c1C
InChIInChI=1S/C15H26N4O/c1-12-13(2)17-11-18-14(12)19-8-4-6-15(9-19,10-20)5-3-7-16/h11,20H,3-10,16H2,1-2H3
InChIKeyOANGFVZXBXGQQT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.41
Rot. Bonds5

About [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol

[3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 155717565) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID155717565
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1ncnc(N2CCCC(CO)(CCCN)C2)c1C
InChIInChI=1S/C15H26N4O/c1-12-13(2)17-11-18-14(12)19-8-4-6-15(9-19,10-20)5-3-7-16/h11,20H,3-10,16H2,1-2H3
InChIKeyOANGFVZXBXGQQT-UHFFFAOYSA-N
XLogP1.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-{3-[(5,6-Dimethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72906961
(6S)-6-[(5,6-dimethylpyrimidin-4-yl)amino]-2-methylheptan-2-ol
CID 97141717
[(3S)-1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
CID 164637595
[2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 103705018
2-Ethyl-2-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 103844361
5-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858529
5-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103896010
[1-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 104881323
4-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130324
[1-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113252384
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 113253623
[1-[6-(Difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol
CID 136562407

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 155717565) is [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol is Cc1ncnc(N2CCCC(CO)(CCCN)C2)c1C.
What is the InChIKey of [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is OANGFVZXBXGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-13(2)17-11-18-14(12)19-8-4-6-15(9-19,10-20)5-3-7-16/h11,20H,3-10,16H2,1-2H3.
What are the key properties of [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
[3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminopropyl)-1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 155717565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).