[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C15H22N4O2 — CID 109298407

IUPAC[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(NCC2CCCO2)n1)N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-14(19-8-2-1-3-9-19)13-6-7-16-15(18-13)17-11-12-5-4-10-21-12/h6-7,12H,1-5,8-11H2,(H,16,17,18)
InChIKeyLHCYVGDVFSBUBD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.69
Rot. Bonds4

About [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109298407) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109298407
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(NCC2CCCO2)n1)N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-14(19-8-2-1-3-9-19)13-6-7-16-15(18-13)17-11-12-5-4-10-21-12/h6-7,12H,1-5,8-11H2,(H,16,17,18)
InChIKeyLHCYVGDVFSBUBD-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone 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

[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109300735
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300782
[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109324577
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300733

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109298407) is [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1ccnc(NCC2CCCO2)n1)N1CCCCC1.
What is the InChIKey of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is LHCYVGDVFSBUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(19-8-2-1-3-9-19)13-6-7-16-15(18-13)17-11-12-5-4-10-21-12/h6-7,12H,1-5,8-11H2,(H,16,17,18).
What are the key properties of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109298407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).