8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine

C25H23N7O2 — CID 66502796

IUPAC8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
SMILESCOc1ccc(-n2cc(-c3ccnc(Nc4nc(C)c5cccc(OC)c5n4)n3)c(C)n2)cc1
InChIInChI=1S/C25H23N7O2/c1-15-19-6-5-7-22(34-4)23(19)29-25(27-15)30-24-26-13-12-21(28-24)20-14-32(31-16(20)2)17-8-10-18(33-3)11-9-17/h5-14H,1-4H3,(H,26,27,28,29,30)
InChIKeyMLQPXRSDJMZHCC-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.65
Rot. Bonds6

About 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine

8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine (PubChem CID 66502796) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine.

Molecular Properties

Compound Name8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
PubChem CID66502796
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
SMILESCOc1ccc(-n2cc(-c3ccnc(Nc4nc(C)c5cccc(OC)c5n4)n3)c(C)n2)cc1
InChIInChI=1S/C25H23N7O2/c1-15-19-6-5-7-22(34-4)23(19)29-25(27-15)30-24-26-13-12-21(28-24)20-14-32(31-16(20)2)17-8-10-18(33-3)11-9-17/h5-14H,1-4H3,(H,26,27,28,29,30)
InChIKeyMLQPXRSDJMZHCC-UHFFFAOYSA-N
XLogP4.65
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The IUPAC name of 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine (CID 66502796) is 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine.
What is the SMILES notation for 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The canonical SMILES for 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine is COc1ccc(-n2cc(-c3ccnc(Nc4nc(C)c5cccc(OC)c5n4)n3)c(C)n2)cc1.
What is the InChIKey of 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The InChIKey is MLQPXRSDJMZHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-15-19-6-5-7-22(34-4)23(19)29-25(27-15)30-24-26-13-12-21(28-24)20-14-32(31-16(20)2)17-8-10-18(33-3)11-9-17/h5-14H,1-4H3,(H,26,27,28,29,30).
What are the key properties of 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine has a molecular weight of 453.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine is sourced from PubChem (CID 66502796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).