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

C23H32N4O3 — CID 141419975

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCCN(CCC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C23H32N4O3/c1-5-8-26(9-6-2)23-24-13-16-14-27(10-7-19(16)25-23)22(30)18-11-17(15(3)4)20(28)12-21(18)29/h11-13,15,28-29H,5-10,14H2,1-4H3
InChIKeyYBSVKNSRVXROQF-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.84
Rot. Bonds7

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 141419975) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID141419975
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCCN(CCC)c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2
InChIInChI=1S/C23H32N4O3/c1-5-8-26(9-6-2)23-24-13-16-14-27(10-7-19(16)25-23)22(30)18-11-17(15(3)4)20(28)12-21(18)29/h11-13,15,28-29H,5-10,14H2,1-4H3
InChIKeyYBSVKNSRVXROQF-UHFFFAOYSA-N
XLogP3.84
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.84
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-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 141419975) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-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-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CCCN(CCC)c1ncc2c(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-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is YBSVKNSRVXROQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-5-8-26(9-6-2)23-24-13-16-14-27(10-7-19(16)25-23)22(30)18-11-17(15(3)4)20(28)12-21(18)29/h11-13,15,28-29H,5-10,14H2,1-4H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 412.53 g/mol, XLogP of 3.84, 7 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-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 141419975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).