4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one

C20H23N5O2 — CID 136907609

IUPAC4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)n1
InChIInChI=1S/C20H23N5O2/c1-14-11-17(26)24-20(23-14)21-8-9-25-13-22-18(15-5-3-2-4-6-15)19(25)16-7-10-27-12-16/h2-6,11,13,16H,7-10,12H2,1H3,(H2,21,23,24,26)/t16-/m0/s1
InChIKeyAHVWUCLZTGSIKZ-INIZCTEOSA-N
MW365.44 g/mol
LogP2.56
Rot. Bonds6

About 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one

4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136907609) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one
PubChem CID136907609
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)n1
InChIInChI=1S/C20H23N5O2/c1-14-11-17(26)24-20(23-14)21-8-9-25-13-22-18(15-5-3-2-4-6-15)19(25)16-7-10-27-12-16/h2-6,11,13,16H,7-10,12H2,1H3,(H2,21,23,24,26)/t16-/m0/s1
InChIKeyAHVWUCLZTGSIKZ-INIZCTEOSA-N
XLogP2.56
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one 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

5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole
CID 50953113
N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide
CID 95143087
3-[[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]methyl]benzoic acid
CID 97136318
4-methyl-2-[[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]methyl]-1,3-benzoxazole
CID 95136288
[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 154767354
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 136861452
(3R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 136916442
2-[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 138006565
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 135462793
(2S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136756310

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one (CID 136907609) is 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)n1.
What is the InChIKey of 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is AHVWUCLZTGSIKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-11-17(26)24-20(23-14)21-8-9-25-13-22-18(15-5-3-2-4-6-15)19(25)16-7-10-27-12-16/h2-6,11,13,16H,7-10,12H2,1H3,(H2,21,23,24,26)/t16-/m0/s1.
What are the key properties of 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one?
4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 365.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136907609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).