5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid

C14H14ClN3O3 — CID 58220674

IUPAC5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid
SMILESCC(Nc1nc(C2CC2)nc(C(=O)O)c1Cl)c1ccco1
InChIInChI=1S/C14H14ClN3O3/c1-7(9-3-2-6-21-9)16-13-10(15)11(14(19)20)17-12(18-13)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyXQGDJNSLMXOJAH-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.47
Rot. Bonds5

About 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid

5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid (PubChem CID 58220674) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid
PubChem CID58220674
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid
SMILESCC(Nc1nc(C2CC2)nc(C(=O)O)c1Cl)c1ccco1
InChIInChI=1S/C14H14ClN3O3/c1-7(9-3-2-6-21-9)16-13-10(15)11(14(19)20)17-12(18-13)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyXQGDJNSLMXOJAH-UHFFFAOYSA-N
XLogP3.47
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83869042
methyl 5-chloro-2-cyclopropyl-6-[(2-methyl-1-phenylpropyl)amino]pyrimidine-4-carboxylate
CID 140564379
5-chloro-2-cyclopropyl-N-(furan-2-yl)-6-(furan-2-ylmethylamino)-N-methylpyrimidine-4-carboxamide
CID 67094590
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide;methyl 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 158544121
methyl 5-chloro-2-cyclopropyl-6-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidine-4-carboxylate
CID 58220775
1-[1-(furan-2-yl)ethylamino]isoquinoline-3-carboxylic acid
CID 43535819
3-chloro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 55182379
5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 67094756
4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine
CID 43427054
N-benzyl-6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxamide
CID 67094511
2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570272
2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41323729

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid (CID 58220674) is 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid is CC(Nc1nc(C2CC2)nc(C(=O)O)c1Cl)c1ccco1.
What is the InChIKey of 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
The InChIKey is XQGDJNSLMXOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-7(9-3-2-6-21-9)16-13-10(15)11(14(19)20)17-12(18-13)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid has a molecular weight of 307.74 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58220674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).