(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone

C15H22N4O3 — CID 170207736

IUPAC(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NC2CCOCC2)ncn1)N1CCCC(O)C1
InChIInChI=1S/C15H22N4O3/c20-12-2-1-5-19(9-12)15(21)13-8-14(17-10-16-13)18-11-3-6-22-7-4-11/h8,10-12,20H,1-7,9H2,(H,16,17,18)
InChIKeyUTJMZVQCKYYLND-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.66
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone

(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone (PubChem CID 170207736) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone
PubChem CID170207736
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NC2CCOCC2)ncn1)N1CCCC(O)C1
InChIInChI=1S/C15H22N4O3/c20-12-2-1-5-19(9-12)15(21)13-8-14(17-10-16-13)18-11-3-6-22-7-4-11/h8,10-12,20H,1-7,9H2,(H,16,17,18)
InChIKeyUTJMZVQCKYYLND-UHFFFAOYSA-N
XLogP0.66
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
1-[4-[[6-(3-hydroxypiperidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 165094046
morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109343521
[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341660
(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate
CID 175334926
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354186
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271
6-hydrazinyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80907012
1-[[6-(oxan-4-ylamino)pyrimidin-4-yl]amino]propan-2-one
CID 115265033

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone (CID 170207736) is (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone is O=C(c1cc(NC2CCOCC2)ncn1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone?
The InChIKey is UTJMZVQCKYYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-12-2-1-5-19(9-12)15(21)13-8-14(17-10-16-13)18-11-3-6-22-7-4-11/h8,10-12,20H,1-7,9H2,(H,16,17,18).
What are the key properties of (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone?
(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 170207736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).