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

C23H16F2N4 — CID 78210051

IUPAC4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine
SMILESCn1c2ccccc2c2cc(-c3cc(-c4ccc(F)c(F)c4)nc(N)n3)ccc21
InChIInChI=1S/C23H16F2N4/c1-29-21-5-3-2-4-15(21)16-10-13(7-9-22(16)29)19-12-20(28-23(26)27-19)14-6-8-17(24)18(25)11-14/h2-12H,1H3,(H2,26,27,28)
InChIKeyUMTUKKJZAJFTRH-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.32
Rot. Bonds2

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

4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine (PubChem CID 78210051) has the molecular formula C23H16F2N4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine
PubChem CID78210051
Molecular FormulaC23H16F2N4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine
SMILESCn1c2ccccc2c2cc(-c3cc(-c4ccc(F)c(F)c4)nc(N)n3)ccc21
InChIInChI=1S/C23H16F2N4/c1-29-21-5-3-2-4-15(21)16-10-13(7-9-22(16)29)19-12-20(28-23(26)27-19)14-6-8-17(24)18(25)11-14/h2-12H,1H3,(H2,26,27,28)
InChIKeyUMTUKKJZAJFTRH-UHFFFAOYSA-N
XLogP5.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine (CID 78210051) is 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine is Cn1c2ccccc2c2cc(-c3cc(-c4ccc(F)c(F)c4)nc(N)n3)ccc21.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
The InChIKey is UMTUKKJZAJFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4/c1-29-21-5-3-2-4-15(21)16-10-13(7-9-22(16)29)19-12-20(28-23(26)27-19)14-6-8-17(24)18(25)11-14/h2-12H,1H3,(H2,26,27,28).
What are the key properties of 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine?
4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine has a molecular weight of 386.41 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-6-(9-methylcarbazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 78210051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).