2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one

C15H15N3O2 — CID 11623153

IUPAC2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2cccc(-c3ccco3)c2)CC(=O)NC(N)=N1
InChIInChI=1S/C15H15N3O2/c1-15(9-13(19)17-14(16)18-15)11-5-2-4-10(8-11)12-6-3-7-20-12/h2-8H,9H2,1H3,(H3,16,17,18,19)
InChIKeyZSPKKVWAEKUJOW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds2

About 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one

2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one (PubChem CID 11623153) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
PubChem CID11623153
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2cccc(-c3ccco3)c2)CC(=O)NC(N)=N1
InChIInChI=1S/C15H15N3O2/c1-15(9-13(19)17-14(16)18-15)11-5-2-4-10(8-11)12-6-3-7-20-12/h2-8H,9H2,1H3,(H3,16,17,18,19)
InChIKeyZSPKKVWAEKUJOW-UHFFFAOYSA-N
XLogP2.00
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
CID 2065524
4,6(1H,5H)-Pyrimidinedione, 2-((2-furanylmethyl)amino)-5-phenyl-
CID 135416866
4,6(1H,5H)-Pyrimidinedione, 5-benzyl-2-(furfurylamino)-
CID 135417410
N-(diaminomethylidene)-3-[2-(difluoromethyl)furan-3-yl]benzamide
CID 21838082
2-amino-6-[2-fluoro-5-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448640
2-Amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(furan-2-ylmethyl)phenyl]-3-methylimidazol-4-one
CID 59305373
5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]furan-3-yl]-2-fluorobenzonitrile
CID 59388080
4-(3-acetylphenyl)-2-amino-4-[4-(difluoromethoxy)phenyl]-1H-imidazol-5-one
CID 70822406
1-[1-[4-(Difluoromethoxy)phenyl]-1-[3-(furan-2-ylmethyl)phenyl]-2-oxoethyl]-2-methylguanidine
CID 88262160
tert-butyl N-[(4S)-1-[[2-fluoro-5-(furan-2-yl)phenyl]methyl]-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-2-yl]carbamate
CID 89818567
tert-butyl N-[1-[[2-fluoro-5-(furan-2-yl)phenyl]methyl]-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-2-yl]carbamate
CID 123184197
2-Amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(furan-2-yl)phenyl]-3-methylimidazol-4-one
CID 138468377

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one (CID 11623153) is 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one is CC1(c2cccc(-c3ccco3)c2)CC(=O)NC(N)=N1.
What is the InChIKey of 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
The InChIKey is ZSPKKVWAEKUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-15(9-13(19)17-14(16)18-15)11-5-2-4-10(8-11)12-6-3-7-20-12/h2-8H,9H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one has a molecular weight of 269.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(furan-2-yl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one is sourced from PubChem (CID 11623153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).