N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C18H18N6O — CID 46984520

IUPACN,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(N(C)Cc3cnn(-c4ccccc4C)c3)ncnc2o1
InChIInChI=1S/C18H18N6O/c1-12-6-4-5-7-15(12)24-10-14(8-21-24)9-23(3)17-16-18(20-11-19-17)25-13(2)22-16/h4-8,10-11H,9H2,1-3H3
InChIKeyFEGVSKLCZLJMMT-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.06
Rot. Bonds4

About N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 46984520) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID46984520
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(N(C)Cc3cnn(-c4ccccc4C)c3)ncnc2o1
InChIInChI=1S/C18H18N6O/c1-12-6-4-5-7-15(12)24-10-14(8-21-24)9-23(3)17-16-18(20-11-19-17)25-13(2)22-16/h4-8,10-11H,9H2,1-3H3
InChIKeyFEGVSKLCZLJMMT-UHFFFAOYSA-N
XLogP3.06
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 46984520) is N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1nc2c(N(C)Cc3cnn(-c4ccccc4C)c3)ncnc2o1.
What is the InChIKey of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is FEGVSKLCZLJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-6-4-5-7-15(12)24-10-14(8-21-24)9-23(3)17-16-18(20-11-19-17)25-13(2)22-16/h4-8,10-11H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 334.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 46984520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).