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

C18H21N3O2 — CID 11623764

IUPAC2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(CCc2cccc(-c3ccco3)c2)N=C1N
InChIInChI=1S/C18H21N3O2/c1-18(12-16(22)21(2)17(19)20-18)9-8-13-5-3-6-14(11-13)15-7-4-10-23-15/h3-7,10-11H,8-9,12H2,1-2H3,(H2,19,20)
InChIKeyCQZAFYMTIXNYRA-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.81
Rot. Bonds4

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

2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 11623764) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID11623764
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(CCc2cccc(-c3ccco3)c2)N=C1N
InChIInChI=1S/C18H21N3O2/c1-18(12-16(22)21(2)17(19)20-18)9-8-13-5-3-6-14(11-13)15-7-4-10-23-15/h3-7,10-11H,8-9,12H2,1-2H3,(H2,19,20)
InChIKeyCQZAFYMTIXNYRA-UHFFFAOYSA-N
XLogP2.81
TPSA71.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 11623764) is 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(CCc2cccc(-c3ccco3)c2)N=C1N.
What is the InChIKey of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is CQZAFYMTIXNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(12-16(22)21(2)17(19)20-18)9-8-13-5-3-6-14(11-13)15-7-4-10-23-15/h3-7,10-11H,8-9,12H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 311.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 11623764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).