5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid

C13H12ClN3O3 — CID 42642642

IUPAC5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C13H12ClN3O3/c14-9-10(13(18)19)16-11(7-3-4-7)17-12(9)15-6-8-2-1-5-20-8/h1-2,5,7H,3-4,6H2,(H,18,19)(H,15,16,17)
InChIKeySCYZRQUCHXFWJG-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.91
Rot. Bonds5

About 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid

5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid (PubChem CID 42642642) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
PubChem CID42642642
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C13H12ClN3O3/c14-9-10(13(18)19)16-11(7-3-4-7)17-12(9)15-6-8-2-1-5-20-8/h1-2,5,7H,3-4,6H2,(H,18,19)(H,15,16,17)
InChIKeySCYZRQUCHXFWJG-UHFFFAOYSA-N
XLogP2.91
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidin-4-yl]-3-(furan-2-yl)propan-1-one
CID 58220750
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
6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459286
5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83869042
N-benzyl-6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxamide
CID 67094511
methyl 6-[(5-bromofuran-2-yl)methylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220920
5-chloro-6-(cyclopentylamino)-2-cyclopropylpyrimidine-4-carboxylic acid
CID 58220583
[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 59625555
1-[6-(benzylamino)-5-chloro-2-cyclopropylpyrimidin-4-yl]-3-phenylpropan-1-one;methyl 6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;methyl 5,6-dichloro-2-cyclopropylpyrimidine-4-carboxylate
CID 159364379
methyl 5-chloro-2-cyclopropyl-6-[(2-morpholin-4-ylphenyl)methylamino]pyrimidine-4-carboxylate
CID 58220912
5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 131974169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid (CID 42642642) is 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid is O=C(O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
The InChIKey is SCYZRQUCHXFWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c14-9-10(13(18)19)16-11(7-3-4-7)17-12(9)15-6-8-2-1-5-20-8/h1-2,5,7H,3-4,6H2,(H,18,19)(H,15,16,17).
What are the key properties of 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 2.91, 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-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 42642642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).