2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C13H13N5O2 — CID 135984493

IUPAC2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2nc(-c3ccco3)cc2N)[nH]c(=O)c1C
InChIInChI=1S/C13H13N5O2/c1-7-8(2)15-13(16-12(7)19)18-11(14)6-9(17-18)10-4-3-5-20-10/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyRLPIGBWZWJZSNZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.41
Rot. Bonds2

About 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135984493) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135984493
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2nc(-c3ccco3)cc2N)[nH]c(=O)c1C
InChIInChI=1S/C13H13N5O2/c1-7-8(2)15-13(16-12(7)19)18-11(14)6-9(17-18)10-4-3-5-20-10/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyRLPIGBWZWJZSNZ-UHFFFAOYSA-N
XLogP1.41
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939586
N-cyclohexyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681348
N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681349
N-(1-adamantyl)-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681350
Methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
CID 162665882
4-[5-Amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
CID 162677191
1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2822416
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523385
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
CID 135753132
Pyrazolo(1,5-a)-1,3,5-triazin-4-amine, 7-(2-furanyl)-2-phenoxy-
CID 3071890
2-cyano-3-(furan-2-yl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)prop-2-enamide
CID 2421445
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 2742771

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135984493) is 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-n2nc(-c3ccco3)cc2N)[nH]c(=O)c1C.
What is the InChIKey of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is RLPIGBWZWJZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-7-8(2)15-13(16-12(7)19)18-11(14)6-9(17-18)10-4-3-5-20-10/h3-6H,14H2,1-2H3,(H,15,16,19).
What are the key properties of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 271.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135984493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).