4-amino-6-methylpyrimidine-5-carbonitrile

C6H6N4 — CID 2793843

IUPAC4-amino-6-methylpyrimidine-5-carbonitrile
SMILESCc1ncnc(N)c1C#N
InChIInChI=1S/C6H6N4/c1-4-5(2-7)6(8)10-3-9-4/h3H,1H3,(H2,8,9,10)
InChIKeyHFTQOHMFCTUMHL-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.24
Rot. Bonds

About 4-amino-6-methylpyrimidine-5-carbonitrile

4-amino-6-methylpyrimidine-5-carbonitrile (PubChem CID 2793843) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 4-amino-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylpyrimidine-5-carbonitrile
PubChem CID2793843
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name4-amino-6-methylpyrimidine-5-carbonitrile
SMILESCc1ncnc(N)c1C#N
InChIInChI=1S/C6H6N4/c1-4-5(2-7)6(8)10-3-9-4/h3H,1H3,(H2,8,9,10)
InChIKeyHFTQOHMFCTUMHL-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

4-Amino-5-cyano-2,6-dimethylpyrimidine
CID 2793863
4-Amino-6-methyl-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 58296336
5-Methylpyrimidine-4-carbonitrile
CID 13860984
5,6-Dimethylpyrimidine-2,4-diamine
CID 16070021
6-Methylpyrimidine-4,5-diamine
CID 275296
4-Chloro-6-methylpyrimidine-5-carbonitrile
CID 17856582
4-Amino-2-methoxy-6-methylpyrimidine-5-carbonitrile
CID 21784480
5-Fluoro-6-methylpyrimidin-4-amine
CID 65999183
6-Aminopyrimidine-4-carbonitrile
CID 66801801
2-Amino-4-methylpyrimidine-5-carbonitrile
CID 23552177
5-Iodo-6-methylpyrimidin-4-amine
CID 616548
2,4-Dimethylpyrimidine-5-carbonitrile
CID 268595

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylpyrimidine-5-carbonitrile (CID 2793843) is 4-amino-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylpyrimidine-5-carbonitrile is Cc1ncnc(N)c1C#N.
What is the InChIKey of 4-amino-6-methylpyrimidine-5-carbonitrile?
The InChIKey is HFTQOHMFCTUMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-4-5(2-7)6(8)10-3-9-4/h3H,1H3,(H2,8,9,10).
What are the key properties of 4-amino-6-methylpyrimidine-5-carbonitrile?
4-amino-6-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 4-amino-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2793843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).