4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine

C24H20N4O — CID 78210049

IUPAC4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4C)nc(N)n2)cc1
InChIInChI=1S/C24H20N4O/c1-28-22-6-4-3-5-18(22)19-13-16(9-12-23(19)28)21-14-20(26-24(25)27-21)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H2,25,26,27)
InChIKeyLQEHHFTZKROWFV-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.05
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine

4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine (PubChem CID 78210049) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine
PubChem CID78210049
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4C)nc(N)n2)cc1
InChIInChI=1S/C24H20N4O/c1-28-22-6-4-3-5-18(22)19-13-16(9-12-23(19)28)21-14-20(26-24(25)27-21)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H2,25,26,27)
InChIKeyLQEHHFTZKROWFV-UHFFFAOYSA-N
XLogP5.05
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine (CID 78210049) is 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine is COc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4C)nc(N)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
The InChIKey is LQEHHFTZKROWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-28-22-6-4-3-5-18(22)19-13-16(9-12-23(19)28)21-14-20(26-24(25)27-21)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H2,25,26,27).
What are the key properties of 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 78210049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).