5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid

C13H16ClN3O2 — CID 58220583

IUPAC5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc(NC2CCCC2)c1Cl
InChIInChI=1S/C13H16ClN3O2/c14-9-10(13(18)19)16-11(7-5-6-7)17-12(9)15-8-3-1-2-4-8/h7-8H,1-6H2,(H,18,19)(H,15,16,17)
InChIKeyOQMBNHYQVQHUKW-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.06
Rot. Bonds4

About 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid

5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid (PubChem CID 58220583) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid
PubChem CID58220583
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc(NC2CCCC2)c1Cl
InChIInChI=1S/C13H16ClN3O2/c14-9-10(13(18)19)16-11(7-5-6-7)17-12(9)15-8-3-1-2-4-8/h7-8H,1-6H2,(H,18,19)(H,15,16,17)
InChIKeyOQMBNHYQVQHUKW-UHFFFAOYSA-N
XLogP3.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Aminocyclopyrachlor
CID 17747875
Aminocyclopyrachlor-triethylammonium
CID 165368629
Aminocyclopyrachlor potassium
CID 44148874
Aminocyclopyrachlor(1-)
CID 53477591
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid;N,N-diethylethanamine
CID 172013629
5-Chloro-6-[[3-(dimethylamino)propyl]amino]-4-pyrimidinecarboxylic acid
CID 57569289
5-Chloro-6-[[2-(dimethylamino)ethyl]amino]-4-pyrimidinecarboxylic acid
CID 57569333
6-[(2-Aminoethyl)amino]-5-chloro-4-pyrimidinecarboxylic acid
CID 57569339
5-Chloro-6-(isopropylamino)pyrimidine-4-carboxylic acid
CID 57569495
5-Chloro-6-(ethylamino)-4-pyrimidinecarboxylic acid
CID 57569546
5-Chloro-6-[(2-hydroxyethyl)amino]-4-pyrimidinecarboxylic acid
CID 57569794
5-Chloro-6-[(3-hydroxypropyl)amino]-4-pyrimidinecarboxylic acid
CID 57569971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid (CID 58220583) is 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid is O=C(O)c1nc(C2CC2)nc(NC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid?
The InChIKey is OQMBNHYQVQHUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-9-10(13(18)19)16-11(7-5-6-7)17-12(9)15-8-3-1-2-4-8/h7-8H,1-6H2,(H,18,19)(H,15,16,17).
What are the key properties of 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid?
5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 58220583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).