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

C19H21N3O3 — CID 58449047

IUPAC2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
SMILESCc1ccoc1C(=O)Cc1cccc(C2(C)CC(=O)N(C)C(N)=N2)c1
InChIInChI=1S/C19H21N3O3/c1-12-7-8-25-17(12)15(23)10-13-5-4-6-14(9-13)19(2)11-16(24)22(3)18(20)21-19/h4-9H,10-11H2,1-3H3,(H2,20,21)
InChIKeyJCYXZUHDVWFCLK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.41
Rot. Bonds4

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

2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one (PubChem CID 58449047) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
PubChem CID58449047
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
SMILESCc1ccoc1C(=O)Cc1cccc(C2(C)CC(=O)N(C)C(N)=N2)c1
InChIInChI=1S/C19H21N3O3/c1-12-7-8-25-17(12)15(23)10-13-5-4-6-14(9-13)19(2)11-16(24)22(3)18(20)21-19/h4-9H,10-11H2,1-3H3,(H2,20,21)
InChIKeyJCYXZUHDVWFCLK-UHFFFAOYSA-N
XLogP2.41
TPSA88.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one (CID 58449047) is 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one is Cc1ccoc1C(=O)Cc1cccc(C2(C)CC(=O)N(C)C(N)=N2)c1.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
The InChIKey is JCYXZUHDVWFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-7-8-25-17(12)15(23)10-13-5-4-6-14(9-13)19(2)11-16(24)22(3)18(20)21-19/h4-9H,10-11H2,1-3H3,(H2,20,21).
What are the key properties of 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 58449047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).