4-(2-methylpropylamino)pyrimidine-5-carboxylic acid

C9H13N3O2 — CID 28905979

IUPAC4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
SMILESCC(C)CNc1ncncc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(2)3-11-8-7(9(13)14)4-10-5-12-8/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyRTFIBABGOPTZMB-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.24
Rot. Bonds4

About 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid

4-(2-methylpropylamino)pyrimidine-5-carboxylic acid (PubChem CID 28905979) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
PubChem CID28905979
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
SMILESCC(C)CNc1ncncc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(2)3-11-8-7(9(13)14)4-10-5-12-8/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyRTFIBABGOPTZMB-UHFFFAOYSA-N
XLogP1.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-5-carboxylic acid
CID 114214902
4-[[3-(diethylamino)-3-oxopropyl]amino]pyrimidine-5-carboxylic acid
CID 114214618
4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 114214842
4-[2-[methyl(methylsulfonyl)amino]ethylamino]pyrimidine-5-carboxylic acid
CID 72891695
4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyrimidine-5-carboxylic acid
CID 114214452
4-[(2,5-dimethylphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 115148925
4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
CID 114214734
4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987
2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one
CID 143328123
2-(2-methylphenyl)-4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 82169183

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid (CID 28905979) is 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid is CC(C)CNc1ncncc1C(=O)O.
What is the InChIKey of 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid?
The InChIKey is RTFIBABGOPTZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)3-11-8-7(9(13)14)4-10-5-12-8/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid?
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 28905979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).