2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid

C13H22N4O2 — CID 107553462

IUPAC2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid
SMILESCC(C)CC(CN(C)C)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)7-10(8-17(3)4)15-13-14-6-5-11(16-13)12(18)19/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)(H,14,15,16)
InChIKeyHSUCUKSVXVZMKW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds7

About 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid

2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid (PubChem CID 107553462) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid
PubChem CID107553462
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid
SMILESCC(C)CC(CN(C)C)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)7-10(8-17(3)4)15-13-14-6-5-11(16-13)12(18)19/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)(H,14,15,16)
InChIKeyHSUCUKSVXVZMKW-UHFFFAOYSA-N
XLogP1.56
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Pyrimidinecarboxylic acid
CID 169306
2-Hydrazinylpyrimidine-4-carboxylic acid
CID 83672127
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
2-Aminopyrimidine-4-carboxylic acid
CID 247194
2-Methoxypyrimidine-4-carboxylic acid
CID 12570285
2-(Propan-2-yl)pyrimidine-4-carboxylic acid
CID 28065127
2-Cyclopropylpyrimidine-4-carboxylic acid
CID 52374412
2-(Pyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 44122248
2-(1-{[(Tert-butoxy)carbonyl]amino}cyclopropyl)pyrimidine-4-carboxylic acid
CID 139016569
2-(Pyrrolidin-1-yl)pyrimidine-4-carboxylic acid hydrochloride
CID 139026786
2-[(Azetidin-3-yl)amino]pyrimidine-4-carboxylic acid dihydrochloride
CID 177800814
2-Amino-4-carboxypyrimidine
CID 25202150

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid (CID 107553462) is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid is CC(C)CC(CN(C)C)Nc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid?
The InChIKey is HSUCUKSVXVZMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)7-10(8-17(3)4)15-13-14-6-5-11(16-13)12(18)19/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)(H,14,15,16).
What are the key properties of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid?
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).