4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine

C22H17N5 — CID 78210059

IUPAC4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESCn1c2ccccc2c2cc(-c3cc(-c4ccccn4)nc(N)n3)ccc21
InChIInChI=1S/C22H17N5/c1-27-20-8-3-2-6-15(20)16-12-14(9-10-21(16)27)18-13-19(26-22(23)25-18)17-7-4-5-11-24-17/h2-13H,1H3,(H2,23,25,26)
InChIKeyWFWZMXFSFOSPKC-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.43
Rot. Bonds2

About 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine

4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine (PubChem CID 78210059) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
PubChem CID78210059
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESCn1c2ccccc2c2cc(-c3cc(-c4ccccn4)nc(N)n3)ccc21
InChIInChI=1S/C22H17N5/c1-27-20-8-3-2-6-15(20)16-12-14(9-10-21(16)27)18-13-19(26-22(23)25-18)17-7-4-5-11-24-17/h2-13H,1H3,(H2,23,25,26)
InChIKeyWFWZMXFSFOSPKC-UHFFFAOYSA-N
XLogP4.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine (CID 78210059) is 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine is Cn1c2ccccc2c2cc(-c3cc(-c4ccccn4)nc(N)n3)ccc21.
What is the InChIKey of 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is WFWZMXFSFOSPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-27-20-8-3-2-6-15(20)16-12-14(9-10-21(16)27)18-13-19(26-22(23)25-18)17-7-4-5-11-24-17/h2-13H,1H3,(H2,23,25,26).
What are the key properties of 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine?
4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 351.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methylcarbazol-3-yl)-6-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 78210059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).