2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid

C10H15N3O3 — CID 107554311

IUPAC2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)CCO)n1
InChIInChI=1S/C10H15N3O3/c1-6(3-4-14)11-10-12-7(2)5-8(13-10)9(15)16/h5-6,14H,3-4H2,1-2H3,(H,15,16)(H,11,12,13)
InChIKeyBJNUKQZMTPGZPV-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.67
Rot. Bonds5

About 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid

2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554311) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554311
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)CCO)n1
InChIInChI=1S/C10H15N3O3/c1-6(3-4-14)11-10-12-7(2)5-8(13-10)9(15)16/h5-6,14H,3-4H2,1-2H3,(H,15,16)(H,11,12,13)
InChIKeyBJNUKQZMTPGZPV-UHFFFAOYSA-N
XLogP0.67
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553898
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
2-(but-3-yn-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554480
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554326
6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 107553535
azepan-1-yl-[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321261
6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295667
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid (CID 107554311) is 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC(C)CCO)n1.
What is the InChIKey of 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is BJNUKQZMTPGZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(3-4-14)11-10-12-7(2)5-8(13-10)9(15)16/h5-6,14H,3-4H2,1-2H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid?
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).