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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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).