[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol

C13H22N4O — CID 80945816

IUPAC[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCCCc1nc(N)cc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H22N4O/c1-2-3-12-15-11(14)8-13(16-12)17-6-4-10(9-18)5-7-17/h8,10,18H,2-7,9H2,1H3,(H2,14,15,16)
InChIKeyXSLFWMKIBJNLGJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.22
Rot. Bonds4

About [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol

[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 80945816) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID80945816
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCCCc1nc(N)cc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H22N4O/c1-2-3-12-15-11(14)8-13(16-12)17-6-4-10(9-18)5-7-17/h8,10,18H,2-7,9H2,1H3,(H2,14,15,16)
InChIKeyXSLFWMKIBJNLGJ-UHFFFAOYSA-N
XLogP1.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806
2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80945393
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971349
6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine
CID 80955008
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
[4-(6-amino-2-propylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102939143
[1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80977068
2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748827
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]methanol
CID 78988791
2-(6-amino-2-propylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863604
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol (CID 80945816) is [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol is CCCc1nc(N)cc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is XSLFWMKIBJNLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-12-15-11(14)8-13(16-12)17-6-4-10(9-18)5-7-17/h8,10,18H,2-7,9H2,1H3,(H2,14,15,16).
What are the key properties of [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol?
[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 80945816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).