(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C22H21N3O5 — CID 135774706

IUPAC(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc(OC)c1OC
InChIInChI=1S/C22H21N3O5/c1-28-15-9-13(10-16(29-2)19(15)30-3)14-11-17(26)23-21-18(14)22(27)25-20(24-21)12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3,(H2,23,24,25,26,27)/t14-/m1/s1
InChIKeyJIKSRDUERLKWAR-CQSZACIVSA-N
MW407.43 g/mol
LogP2.94
Rot. Bonds5

About (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135774706) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135774706
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc(OC)c1OC
InChIInChI=1S/C22H21N3O5/c1-28-15-9-13(10-16(29-2)19(15)30-3)14-11-17(26)23-21-18(14)22(27)25-20(24-21)12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3,(H2,23,24,25,26,27)/t14-/m1/s1
InChIKeyJIKSRDUERLKWAR-CQSZACIVSA-N
XLogP2.94
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135774706) is (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc(OC)c1OC.
What is the InChIKey of (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is JIKSRDUERLKWAR-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-28-15-9-13(10-16(29-2)19(15)30-3)14-11-17(26)23-21-18(14)22(27)25-20(24-21)12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3,(H2,23,24,25,26,27)/t14-/m1/s1.
What are the key properties of (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 407.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135774706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).