(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C18H21N3O4 — CID 141420009

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C18H21N3O4/c1-10(2)12-6-13(16(23)7-15(12)22)17(24)21-5-4-14-11(9-21)8-19-18(20-14)25-3/h6-8,10,22-23H,4-5,9H2,1-3H3
InChIKeyAHJOASUAGIDLOR-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.22
Rot. Bonds3

About (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 141420009) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID141420009
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C18H21N3O4/c1-10(2)12-6-13(16(23)7-15(12)22)17(24)21-5-4-14-11(9-21)8-19-18(20-14)25-3/h6-8,10,22-23H,4-5,9H2,1-3H3
InChIKeyAHJOASUAGIDLOR-UHFFFAOYSA-N
XLogP2.22
TPSA95.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 141420009) is (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is COc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is AHJOASUAGIDLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10(2)12-6-13(16(23)7-15(12)22)17(24)21-5-4-14-11(9-21)8-19-18(20-14)25-3/h6-8,10,22-23H,4-5,9H2,1-3H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 343.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 141420009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).