4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile

C8H10N4 — CID 23423589

IUPAC4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(N(C)C)n1
InChIInChI=1S/C8H10N4/c1-6-10-5-7(4-9)8(11-6)12(2)3/h5H,1-3H3
InChIKeyPNHLLAGSSXEOED-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.72
Rot. Bonds1

About 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile

4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile (PubChem CID 23423589) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile
PubChem CID23423589
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(N(C)C)n1
InChIInChI=1S/C8H10N4/c1-6-10-5-7(4-9)8(11-6)12(2)3/h5H,1-3H3
InChIKeyPNHLLAGSSXEOED-UHFFFAOYSA-N
XLogP0.72
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile (CID 23423589) is 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile is Cc1ncc(C#N)c(N(C)C)n1.
What is the InChIKey of 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile?
The InChIKey is PNHLLAGSSXEOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-6-10-5-7(4-9)8(11-6)12(2)3/h5H,1-3H3.
What are the key properties of 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile?
4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 23423589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).