5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

C12H19N3O2 — CID 62086111

IUPAC5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCC(C)Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-5-8(4)14-9-6-13-11(7(2)3)15-10(9)12(16)17/h6-8,14H,5H2,1-4H3,(H,16,17)
InChIKeyQSIXRLRYDKWIHS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.51
Rot. Bonds5

About 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62086111) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62086111
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCC(C)Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-5-8(4)14-9-6-13-11(7(2)3)15-10(9)12(16)17/h6-8,14H,5H2,1-4H3,(H,16,17)
InChIKeyQSIXRLRYDKWIHS-UHFFFAOYSA-N
XLogP2.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537840
5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087048
2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 62088653
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
5-(6-hydroxyhexylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107853418
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086858
5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087944
5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 106148759
5-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
5-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087774

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62086111) is 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is CCC(C)Nc1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is QSIXRLRYDKWIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-8(4)14-9-6-13-11(7(2)3)15-10(9)12(16)17/h6-8,14H,5H2,1-4H3,(H,16,17).
What are the key properties of 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62086111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).