2-amino-4-methylpyrimidine-5-carbonitrile

C6H6N4 — CID 23552177

IUPAC2-amino-4-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)ncc1C#N
InChIInChI=1S/C6H6N4/c1-4-5(2-7)3-9-6(8)10-4/h3H,1H3,(H2,8,9,10)
InChIKeyUAMNOSOUFLKQAB-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.24
Rot. Bonds

About 2-amino-4-methylpyrimidine-5-carbonitrile

2-amino-4-methylpyrimidine-5-carbonitrile (PubChem CID 23552177) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-amino-4-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methylpyrimidine-5-carbonitrile
PubChem CID23552177
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name2-amino-4-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)ncc1C#N
InChIInChI=1S/C6H6N4/c1-4-5(2-7)3-9-6(8)10-4/h3H,1H3,(H2,8,9,10)
InChIKeyUAMNOSOUFLKQAB-UHFFFAOYSA-N
XLogP0.24
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
Pyrimidine-4-carbonitrile
CID 10313094
4,5-Dimethylpyrimidine
CID 572516
5-Iodo-4-methylpyrimidine
CID 13439270
5-Methylpyrimidine-4-carbonitrile
CID 13860984
2-Chloropyrimidine-4-carbonitrile
CID 246647
2-Chloro-4,5-dimethylpyrimidine
CID 12581784
5-Iodo-4-methylpyrimidin-2-amine
CID 68459926
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
2-Chloro-5-fluoropyrimidine-4-carbonitrile
CID 118393717
3-Methylpyrimidin-3-ium-4-carbonitrile
CID 172457639
4,5-Dimethylpyrimidin-2-amine
CID 231290

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-methylpyrimidine-5-carbonitrile (CID 23552177) is 2-amino-4-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-methylpyrimidine-5-carbonitrile is Cc1nc(N)ncc1C#N.
What is the InChIKey of 2-amino-4-methylpyrimidine-5-carbonitrile?
The InChIKey is UAMNOSOUFLKQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-4-5(2-7)3-9-6(8)10-4/h3H,1H3,(H2,8,9,10).
What are the key properties of 2-amino-4-methylpyrimidine-5-carbonitrile?
2-amino-4-methylpyrimidine-5-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 23552177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).