2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid

C11H15N3O2 — CID 83838220

IUPAC2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid
SMILESCCc1nc(N(C)C2CC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-3-9-8(10(15)16)6-12-11(13-9)14(2)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyXFWSIFQENBVVJD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.34
Rot. Bonds4

About 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid

2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid (PubChem CID 83838220) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid
PubChem CID83838220
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid
SMILESCCc1nc(N(C)C2CC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-3-9-8(10(15)16)6-12-11(13-9)14(2)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyXFWSIFQENBVVJD-UHFFFAOYSA-N
XLogP1.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 83830301
2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 10679999
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553609
2-butyl-4-ethylpyrimidine-5-carboxylic acid
CID 79412123
4-ethyl-2-(1-methoxycyclopentyl)pyrimidine-5-carboxylic acid
CID 104611627
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55107851
4-cyclopropyl-2-[methyl(propan-2-yl)amino]pyrimidine-5-carboxylic acid
CID 83841869
4-ethyl-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylic acid
CID 22831545
4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
CID 114214864

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid (CID 83838220) is 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid is CCc1nc(N(C)C2CC2)ncc1C(=O)O.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid?
The InChIKey is XFWSIFQENBVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-9-8(10(15)16)6-12-11(13-9)14(2)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid?
2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83838220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).