4-(dimethylamino)-2H-pyrimidine-1-carbonitrile

C7H10N4 — CID 141207566

IUPAC4-(dimethylamino)-2H-pyrimidine-1-carbonitrile
SMILESCN(C)C1=NCN(C#N)C=C1
InChIInChI=1S/C7H10N4/c1-10(2)7-3-4-11(5-8)6-9-7/h3-4H,6H2,1-2H3
InChIKeyVLDVKGPALBWRGE-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.21
Rot. Bonds

About 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile

4-(dimethylamino)-2H-pyrimidine-1-carbonitrile (PubChem CID 141207566) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2H-pyrimidine-1-carbonitrile
PubChem CID141207566
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name4-(dimethylamino)-2H-pyrimidine-1-carbonitrile
SMILESCN(C)C1=NCN(C#N)C=C1
InChIInChI=1S/C7H10N4/c1-10(2)7-3-4-11(5-8)6-9-7/h3-4H,6H2,1-2H3
InChIKeyVLDVKGPALBWRGE-UHFFFAOYSA-N
XLogP0.21
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 2-amino-1,4-dihydro-4-imino-1-methyl-
CID 101145593
Pyrimidine, 1,2-dihydro-2-imino-1-methyl-4-methylamino-
CID 55287407
Pyrimidine, 2-dimethylamino-1,4-dihydro-4-imino-1-methyl-
CID 171383875
Pyrimidine, 4-dimethylamino-1,2-dihydro-2-imino-1-methyl-
CID 171384332
Pyrimidine, 1,4-dihydro-4-imino-1-methyl-2-methylamino-
CID 171384357
Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-thio-
CID 171384593
Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-methylimino-
CID 171384672
1-Methyl 2,4-diaminopyrimidine
CID 143466155
1,2-Bis(ethenyl)-1-methylimidazol-1-ium
CID 20040771
2-Ethenyl-1,1-dimethylimidazol-1-ium chloride
CID 22247459
2-Ethenyl-1,1-dimethylimidazol-1-ium
CID 22247460
1-Methyl-2-methylidenepyrimidin-4-amine
CID 23542366

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile (CID 141207566) is 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile is CN(C)C1=NCN(C#N)C=C1.
What is the InChIKey of 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile?
The InChIKey is VLDVKGPALBWRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-10(2)7-3-4-11(5-8)6-9-7/h3-4H,6H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile?
4-(dimethylamino)-2H-pyrimidine-1-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2H-pyrimidine-1-carbonitrile is sourced from PubChem (CID 141207566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).