4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid

C13H13N3O2S — CID 114214176

IUPAC4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H13N3O2S/c17-13(18)11-6-14-8-15-12(11)16(9-3-4-9)7-10-2-1-5-19-10/h1-2,5-6,8-9H,3-4,7H2,(H,17,18)
InChIKeyALSIVWKOLLUNRP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.41
Rot. Bonds5

About 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid

4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 114214176) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
PubChem CID114214176
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H13N3O2S/c17-13(18)11-6-14-8-15-12(11)16(9-3-4-9)7-10-2-1-5-19-10/h1-2,5-6,8-9H,3-4,7H2,(H,17,18)
InChIKeyALSIVWKOLLUNRP-UHFFFAOYSA-N
XLogP2.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974264
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449471
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 114888164
4-[(2-thiophen-2-ylethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103235532
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766335

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid (CID 114214176) is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1N(Cc1cccs1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is ALSIVWKOLLUNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(18)11-6-14-8-15-12(11)16(9-3-4-9)7-10-2-1-5-19-10/h1-2,5-6,8-9H,3-4,7H2,(H,17,18).
What are the key properties of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid?
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).