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

C25H23N7 — CID 66502816

IUPAC6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCCc1ccc2nc(Nc3nccc(-c4cn(-c5ccccc5)nc4C)n3)nc(C)c2c1
InChIInChI=1S/C25H23N7/c1-4-18-10-11-22-20(14-18)16(2)27-25(29-22)30-24-26-13-12-23(28-24)21-15-32(31-17(21)3)19-8-6-5-7-9-19/h5-15H,4H2,1-3H3,(H,26,27,28,29,30)
InChIKeyGULSVRSSOSGKHL-UHFFFAOYSA-N
MW421.51 g/mol
LogP5.20
Rot. Bonds5

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

6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine (PubChem CID 66502816) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
PubChem CID66502816
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCCc1ccc2nc(Nc3nccc(-c4cn(-c5ccccc5)nc4C)n3)nc(C)c2c1
InChIInChI=1S/C25H23N7/c1-4-18-10-11-22-20(14-18)16(2)27-25(29-22)30-24-26-13-12-23(28-24)21-15-32(31-17(21)3)19-8-6-5-7-9-19/h5-15H,4H2,1-3H3,(H,26,27,28,29,30)
InChIKeyGULSVRSSOSGKHL-UHFFFAOYSA-N
XLogP5.20
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
The IUPAC name of 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine (CID 66502816) is 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine.
What is the SMILES notation for 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
The canonical SMILES for 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine is CCc1ccc2nc(Nc3nccc(-c4cn(-c5ccccc5)nc4C)n3)nc(C)c2c1.
What is the InChIKey of 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
The InChIKey is GULSVRSSOSGKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7/c1-4-18-10-11-22-20(14-18)16(2)27-25(29-22)30-24-26-13-12-23(28-24)21-15-32(31-17(21)3)19-8-6-5-7-9-19/h5-15H,4H2,1-3H3,(H,26,27,28,29,30).
What are the key properties of 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine?
6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine has a molecular weight of 421.51 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine is sourced from PubChem (CID 66502816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).