6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid

C11H15N3O2 — CID 106197907

IUPAC6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)=CCNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-7(2)4-5-12-11-13-8(3)6-9(14-11)10(15)16/h4,6H,5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyALQYPKTUDOTAMJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.86
Rot. Bonds4

About 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid

6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid (PubChem CID 106197907) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
PubChem CID106197907
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)=CCNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-7(2)4-5-12-11-13-8(3)6-9(14-11)10(15)16/h4,6H,5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyALQYPKTUDOTAMJ-UHFFFAOYSA-N
XLogP1.86
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.86
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-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
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
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320119
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 114117674
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554351

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid (CID 106197907) is 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid is CC(C)=CCNc1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid?
The InChIKey is ALQYPKTUDOTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)4-5-12-11-13-8(3)6-9(14-11)10(15)16/h4,6H,5H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid?
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106197907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).