2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile

C16H17N5 — CID 929445

IUPAC2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile
SMILESCN1CCN(c2nc(C#N)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H17N5/c1-20-7-9-21(10-8-20)16-18-14(12-17)11-15(19-16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyWZSQNGJVDDWAMW-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.77
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile

2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile (PubChem CID 929445) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile
PubChem CID929445
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile
SMILESCN1CCN(c2nc(C#N)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H17N5/c1-20-7-9-21(10-8-20)16-18-14(12-17)11-15(19-16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyWZSQNGJVDDWAMW-UHFFFAOYSA-N
XLogP1.77
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile (CID 929445) is 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile is CN1CCN(c2nc(C#N)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile?
The InChIKey is WZSQNGJVDDWAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-20-7-9-21(10-8-20)16-18-14(12-17)11-15(19-16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile?
2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carbonitrile is sourced from PubChem (CID 929445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).