6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine

C25H23N7O — CID 66502817

IUPAC6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCCOc1ccc2nc(Nc3nccc(-c4cn(-c5ccccc5)nc4C)n3)nc(C)c2c1
InChIInChI=1S/C25H23N7O/c1-4-33-19-10-11-22-20(14-19)16(2)27-25(29-22)30-24-26-13-12-23(28-24)21-15-32(31-17(21)3)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,26,27,28,29,30)
InChIKeyAGPSZPQKYIMWPN-UHFFFAOYSA-N
MW437.51 g/mol
LogP5.03
Rot. Bonds6

About 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine

6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine (PubChem CID 66502817) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
PubChem CID66502817
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCCOc1ccc2nc(Nc3nccc(-c4cn(-c5ccccc5)nc4C)n3)nc(C)c2c1
InChIInChI=1S/C25H23N7O/c1-4-33-19-10-11-22-20(14-19)16(2)27-25(29-22)30-24-26-13-12-23(28-24)21-15-32(31-17(21)3)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,26,27,28,29,30)
InChIKeyAGPSZPQKYIMWPN-UHFFFAOYSA-N
XLogP5.03
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine 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

6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502816
8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66502797
8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66502796
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine
CID 66503013
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66503004
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 66502909
2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
CID 66502793
N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 66503071
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135895753
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 66503231
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589763
6-ethoxy-4-methyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 3695177

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
The IUPAC name of 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine (CID 66502817) is 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine.
What is the SMILES notation for 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
The canonical SMILES for 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine is CCOc1ccc2nc(Nc3nccc(-c4cn(-c5ccccc5)nc4C)n3)nc(C)c2c1.
What is the InChIKey of 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
The InChIKey is AGPSZPQKYIMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-4-33-19-10-11-22-20(14-19)16(2)27-25(29-22)30-24-26-13-12-23(28-24)21-15-32(31-17(21)3)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,26,27,28,29,30).
What are the key properties of 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine has a molecular weight of 437.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine is sourced from PubChem (CID 66502817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).