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

C14H24N4O2 — CID 62087048

IUPAC5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(CCN(C)C)Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C14H24N4O2/c1-9(2)13-15-8-11(12(17-13)14(19)20)16-10(3)6-7-18(4)5/h8-10,16H,6-7H2,1-5H3,(H,19,20)
InChIKeySREDWQDAUBZUQQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds7

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

5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62087048) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62087048
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(CCN(C)C)Nc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C14H24N4O2/c1-9(2)13-15-8-11(12(17-13)14(19)20)16-10(3)6-7-18(4)5/h8-10,16H,6-7H2,1-5H3,(H,19,20)
InChIKeySREDWQDAUBZUQQ-UHFFFAOYSA-N
XLogP2.05
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 62088653
5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537840
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 102993982
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086858
5-(6-hydroxyhexylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107853418
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
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62087048) is 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(CCN(C)C)Nc1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is SREDWQDAUBZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)13-15-8-11(12(17-13)14(19)20)16-10(3)6-7-18(4)5/h8-10,16H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62087048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).