[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H23N7O2 — CID 109252552

IUPAC[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCC2CCCO2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H23N7O2/c26-16(24-6-8-25(9-7-24)18-19-4-2-5-20-18)14-11-21-17(22-12-14)23-13-15-3-1-10-27-15/h2,4-5,11-12,15H,1,3,6-10,13H2,(H,21,22,23)
InChIKeyDDVSCNKJYWRPBI-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.82
Rot. Bonds5

About [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109252552) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109252552
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCC2CCCO2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H23N7O2/c26-16(24-6-8-25(9-7-24)18-19-4-2-5-20-18)14-11-21-17(22-12-14)23-13-15-3-1-10-27-15/h2,4-5,11-12,15H,1,3,6-10,13H2,(H,21,22,23)
InChIKeyDDVSCNKJYWRPBI-UHFFFAOYSA-N
XLogP0.82
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-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

morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252548
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109365724
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112886715
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109258694
[2-(tert-butylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109262256
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109300735
6-methyl-N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112912455

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109252552) is [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cnc(NCC2CCCO2)nc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DDVSCNKJYWRPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c26-16(24-6-8-25(9-7-24)18-19-4-2-5-20-18)14-11-21-17(22-12-14)23-13-15-3-1-10-27-15/h2,4-5,11-12,15H,1,3,6-10,13H2,(H,21,22,23).
What are the key properties of [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 369.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109252552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).