6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid

C10H13N3O2 — CID 107554495

IUPAC6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
SMILESC=C(C)CNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C10H13N3O2/c1-6(2)5-11-10-12-7(3)4-8(13-10)9(14)15/h4H,1,5H2,2-3H3,(H,14,15)(H,11,12,13)
InChIKeyPTFWOXDRTNCKOR-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.47
Rot. Bonds4

About 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid

6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid (PubChem CID 107554495) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
PubChem CID107554495
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
SMILESC=C(C)CNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C10H13N3O2/c1-6(2)5-11-10-12-7(3)4-8(13-10)9(14)15/h4H,1,5H2,2-3H3,(H,14,15)(H,11,12,13)
InChIKeyPTFWOXDRTNCKOR-UHFFFAOYSA-N
XLogP1.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid
CID 131048994
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554424
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554108
6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295667
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
6-methyl-2-(3-methylsulfonylpropylamino)pyrimidine-4-carboxylic acid
CID 107553393
4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid
CID 130640137
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 114117674

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid (CID 107554495) is 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid is C=C(C)CNc1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid?
The InChIKey is PTFWOXDRTNCKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(2)5-11-10-12-7(3)4-8(13-10)9(14)15/h4H,1,5H2,2-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid?
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).