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

C19H24N4O3 — CID 162669371

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C19H24N4O3/c1-4-20-19-21-9-12-10-23(6-5-15(12)22-19)18(26)14-7-13(11(2)3)16(24)8-17(14)25/h7-9,11,24-25H,4-6,10H2,1-3H3,(H,20,21,22)
InChIKeyMUAUOQRPMMQITE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.64
Rot. Bonds4

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 162669371) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID162669371
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCNc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C19H24N4O3/c1-4-20-19-21-9-12-10-23(6-5-15(12)22-19)18(26)14-7-13(11(2)3)16(24)8-17(14)25/h7-9,11,24-25H,4-6,10H2,1-3H3,(H,20,21,22)
InChIKeyMUAUOQRPMMQITE-UHFFFAOYSA-N
XLogP2.64
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.64
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-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 162669371) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-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-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CCNc1ncc2c(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-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is MUAUOQRPMMQITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-20-19-21-9-12-10-23(6-5-15(12)22-19)18(26)14-7-13(11(2)3)16(24)8-17(14)25/h7-9,11,24-25H,4-6,10H2,1-3H3,(H,20,21,22).
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 2.64, 4 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-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 162669371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).