5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H21N3O3 — CID 62088661

IUPAC5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCCC2CCCO2)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)13-16-8-11(12(17-13)14(18)19)15-6-5-10-4-3-7-20-10/h8-10,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyNZFPUTXMQJTSFU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.28
Rot. Bonds6

About 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62088661) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62088661
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCCC2CCCO2)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)13-16-8-11(12(17-13)14(18)19)15-6-5-10-4-3-7-20-10/h8-10,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyNZFPUTXMQJTSFU-UHFFFAOYSA-N
XLogP2.28
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 113478927
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-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244837
5-(ethylamino)-N-(oxan-4-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62170112
5-(methylamino)-N-(oxan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63362164
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
5-[2-(2-amino-2-oxoethoxy)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 106237962
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153220
5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 106148759

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62088661) is 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(NCCC2CCCO2)c(C(=O)O)n1.
What is the InChIKey of 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is NZFPUTXMQJTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)13-16-8-11(12(17-13)14(18)19)15-6-5-10-4-3-7-20-10/h8-10,15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62088661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).