3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one

C25H25N3O4 — CID 663649

IUPAC3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
SMILES[H]/N=c1/c2c(ncn1Cc1ccco1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC)cc1
InChIInChI=1S/C25H25N3O4/c1-25(2)11-18(29)21-19(12-25)32-24-22(20(21)15-6-8-16(30-3)9-7-15)23(26)28(14-27-24)13-17-5-4-10-31-17/h4-10,14,20,26H,11-13H2,1-3H3/b26-23-
InChIKeyISIWHMRGFZMUNU-RWEWTDSWSA-N
MW431.49 g/mol
LogP4.18
Rot. Bonds4

About 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one

3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one (PubChem CID 663649) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
PubChem CID663649
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
SMILES[H]/N=c1/c2c(ncn1Cc1ccco1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC)cc1
InChIInChI=1S/C25H25N3O4/c1-25(2)11-18(29)21-19(12-25)32-24-22(20(21)15-6-8-16(30-3)9-7-15)23(26)28(14-27-24)13-17-5-4-10-31-17/h4-10,14,20,26H,11-13H2,1-3H3/b26-23-
InChIKeyISIWHMRGFZMUNU-RWEWTDSWSA-N
XLogP4.18
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one?
The IUPAC name of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one (CID 663649) is 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one is [H]/N=c1/c2c(ncn1Cc1ccco1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one?
The InChIKey is ISIWHMRGFZMUNU-RWEWTDSWSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-25(2)11-18(29)21-19(12-25)32-24-22(20(21)15-6-8-16(30-3)9-7-15)23(26)28(14-27-24)13-17-5-4-10-31-17/h4-10,14,20,26H,11-13H2,1-3H3/b26-23-.
What are the key properties of 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one?
3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one has a molecular weight of 431.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 663649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).