4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile

C19H17N5 — CID 1480468

IUPAC4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile
SMILESCC(C)Nc1nc(-c2ccncc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H17N5/c1-13(2)22-19-16(12-20)17(14-6-4-3-5-7-14)23-18(24-19)15-8-10-21-11-9-15/h3-11,13H,1-2H3,(H,22,23,24)
InChIKeyMYIIOVQWAUANOY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.90
Rot. Bonds4

About 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile

4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile (PubChem CID 1480468) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile
PubChem CID1480468
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile
SMILESCC(C)Nc1nc(-c2ccncc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H17N5/c1-13(2)22-19-16(12-20)17(14-6-4-3-5-7-14)23-18(24-19)15-8-10-21-11-9-15/h3-11,13H,1-2H3,(H,22,23,24)
InChIKeyMYIIOVQWAUANOY-UHFFFAOYSA-N
XLogP3.90
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile (CID 1480468) is 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile is CC(C)Nc1nc(-c2ccncc2)nc(-c2ccccc2)c1C#N.
What is the InChIKey of 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is MYIIOVQWAUANOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13(2)22-19-16(12-20)17(14-6-4-3-5-7-14)23-18(24-19)15-8-10-21-11-9-15/h3-11,13H,1-2H3,(H,22,23,24).
What are the key properties of 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile?
4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1480468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).