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

C18H22N4O3 — CID 162675824

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C18H22N4O3/c1-10(2)12-6-13(16(24)7-15(12)23)17(25)22-5-4-14-11(9-22)8-20-18(19-3)21-14/h6-8,10,23-24H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyMDXBTZWYRHPQKU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.25
Rot. Bonds3

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 162675824) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID162675824
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C18H22N4O3/c1-10(2)12-6-13(16(24)7-15(12)23)17(25)22-5-4-14-11(9-22)8-20-18(19-3)21-14/h6-8,10,23-24H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyMDXBTZWYRHPQKU-UHFFFAOYSA-N
XLogP2.25
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
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-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 162675824) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-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-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CNc1ncc2c(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-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is MDXBTZWYRHPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10(2)12-6-13(16(24)7-15(12)23)17(25)22-5-4-14-11(9-22)8-20-18(19-3)21-14/h6-8,10,23-24H,4-5,9H2,1-3H3,(H,19,20,21).
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 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-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 162675824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).