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

C20H25N5O2 — CID 109300735

IUPAC[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NCC2CCCO2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(25-12-10-24(11-13-25)16-5-2-1-3-6-16)18-8-9-21-20(23-18)22-15-17-7-4-14-27-17/h1-3,5-6,8-9,17H,4,7,10-15H2,(H,21,22,23)
InChIKeyHAVFISKYJOUUAV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.03
Rot. Bonds5

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

[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109300735) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109300735
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NCC2CCCO2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(25-12-10-24(11-13-25)16-5-2-1-3-6-16)18-8-9-21-20(23-18)22-15-17-7-4-14-27-17/h1-3,5-6,8-9,17H,4,7,10-15H2,(H,21,22,23)
InChIKeyHAVFISKYJOUUAV-UHFFFAOYSA-N
XLogP2.03
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-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

[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109324577
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109305262
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
(4-phenylpiperazin-1-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307181
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
[4-(3-methylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276969
[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309545
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300853
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109300735) is [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccnc(NCC2CCCO2)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HAVFISKYJOUUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(25-12-10-24(11-13-25)16-5-2-1-3-6-16)18-8-9-21-20(23-18)22-15-17-7-4-14-27-17/h1-3,5-6,8-9,17H,4,7,10-15H2,(H,21,22,23).
What are the key properties of [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109300735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).