4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile

C23H22N6O — CID 175754008

IUPAC4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3c(c2)CCNC3)nc1N1OCCC1c1ccccc1
InChIInChI=1S/C23H22N6O/c24-13-19-15-26-23(27-20-7-6-18-14-25-10-8-17(18)12-20)28-22(19)29-21(9-11-30-29)16-4-2-1-3-5-16/h1-7,12,15,21,25H,8-11,14H2,(H,26,27,28)
InChIKeyRBAQOYKCOMKZEJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.62
Rot. Bonds4

About 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile

4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile (PubChem CID 175754008) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile
PubChem CID175754008
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3c(c2)CCNC3)nc1N1OCCC1c1ccccc1
InChIInChI=1S/C23H22N6O/c24-13-19-15-26-23(27-20-7-6-18-14-25-10-8-17(18)12-20)28-22(19)29-21(9-11-30-29)16-4-2-1-3-5-16/h1-7,12,15,21,25H,8-11,14H2,(H,26,27,28)
InChIKeyRBAQOYKCOMKZEJ-UHFFFAOYSA-N
XLogP3.62
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile 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

3-[(3S)-2-[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,2-oxazolidin-3-yl]benzonitrile
CID 164533694
2-methyl-N-[4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 175753997
2-[4-[3-(diethylamino)propoxy]-3,5-dimethylanilino]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidine-5-carbonitrile
CID 164533718
N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754141
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 164533710
6-methoxy-N-[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 155756390
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533944
phenyl-[4-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 164533893
5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533760
7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458655
5-methyl-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533807

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile (CID 175754008) is 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccc3c(c2)CCNC3)nc1N1OCCC1c1ccccc1.
What is the InChIKey of 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is RBAQOYKCOMKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-13-19-15-26-23(27-20-7-6-18-14-25-10-8-17(18)12-20)28-22(19)29-21(9-11-30-29)16-4-2-1-3-5-16/h1-7,12,15,21,25H,8-11,14H2,(H,26,27,28).
What are the key properties of 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile?
4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2-oxazolidin-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 175754008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).