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

C25H36N4O3 — CID 141419979

IUPAC[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCCCN(CCCC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C25H36N4O3/c1-5-7-10-28(11-8-6-2)25-26-15-18-16-29(12-9-21(18)27-25)24(32)20-13-19(17(3)4)22(30)14-23(20)31/h13-15,17,30-31H,5-12,16H2,1-4H3
InChIKeyFKMAXXMFUWTFAG-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.62
Rot. Bonds9

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

[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 141419979) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID141419979
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCCCCN(CCCC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C25H36N4O3/c1-5-7-10-28(11-8-6-2)25-26-15-18-16-29(12-9-21(18)27-25)24(32)20-13-19(17(3)4)22(30)14-23(20)31/h13-15,17,30-31H,5-12,16H2,1-4H3
InChIKeyFKMAXXMFUWTFAG-UHFFFAOYSA-N
XLogP4.62
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 141419979) is [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CCCCN(CCCC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2.
What is the InChIKey of [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is FKMAXXMFUWTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-5-7-10-28(11-8-6-2)25-26-15-18-16-29(12-9-21(18)27-25)24(32)20-13-19(17(3)4)22(30)14-23(20)31/h13-15,17,30-31H,5-12,16H2,1-4H3.
What are the key properties of [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 440.59 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 141419979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).