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

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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).