(7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C17H21N3O2 — CID 121426445

IUPAC(7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccccc1[C@H]1CCc2c([nH]c(=O)n(C(C)C)c2=O)N1
InChIInChI=1S/C17H21N3O2/c1-10(2)20-16(21)13-8-9-14(18-15(13)19-17(20)22)12-7-5-4-6-11(12)3/h4-7,10,14,18H,8-9H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyOUBBPHBDXADNRV-CQSZACIVSA-N
MW299.37 g/mol
LogP2.53
Rot. Bonds2

About (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

(7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 121426445) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID121426445
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccccc1[C@H]1CCc2c([nH]c(=O)n(C(C)C)c2=O)N1
InChIInChI=1S/C17H21N3O2/c1-10(2)20-16(21)13-8-9-14(18-15(13)19-17(20)22)12-7-5-4-6-11(12)3/h4-7,10,14,18H,8-9H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyOUBBPHBDXADNRV-CQSZACIVSA-N
XLogP2.53
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 121426445) is (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccccc1[C@H]1CCc2c([nH]c(=O)n(C(C)C)c2=O)N1.
What is the InChIKey of (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OUBBPHBDXADNRV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10(2)20-16(21)13-8-9-14(18-15(13)19-17(20)22)12-7-5-4-6-11(12)3/h4-7,10,14,18H,8-9H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
(7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 299.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-methylphenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 121426445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).