4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid

C13H19N3O2 — CID 114214842

IUPAC4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCCC1(CNc2ncncc2C(=O)O)CCCC1
InChIInChI=1S/C13H19N3O2/c1-2-13(5-3-4-6-13)8-15-11-10(12(17)18)7-14-9-16-11/h7,9H,2-6,8H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyPLGZEGQLUIGESI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.56
Rot. Bonds5

About 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid

4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid (PubChem CID 114214842) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
PubChem CID114214842
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCCC1(CNc2ncncc2C(=O)O)CCCC1
InChIInChI=1S/C13H19N3O2/c1-2-13(5-3-4-6-13)8-15-11-10(12(17)18)7-14-9-16-11/h7,9H,2-6,8H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyPLGZEGQLUIGESI-UHFFFAOYSA-N
XLogP2.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
CID 114214734
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-5-carboxylic acid
CID 114214902
5-[(1-ethylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114126141
4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103259792
4-[[3-(diethylamino)-3-oxopropyl]amino]pyrimidine-5-carboxylic acid
CID 114214618
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid
CID 114126371
methyl 4-[(4-hydroxyoxan-4-yl)methylamino]pyrimidine-5-carboxylate
CID 114214786
4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid
CID 130484563
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214814

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid (CID 114214842) is 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid is CCC1(CNc2ncncc2C(=O)O)CCCC1.
What is the InChIKey of 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is PLGZEGQLUIGESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-13(5-3-4-6-13)8-15-11-10(12(17)18)7-14-9-16-11/h7,9H,2-6,8H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).