(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide

C16H18N4O — CID 95281735

IUPAC(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide
SMILESCc1ncc2c(n1)CN([C@@H](C(N)=O)c1ccccc1)CC2
InChIInChI=1S/C16H18N4O/c1-11-18-9-13-7-8-20(10-14(13)19-11)15(16(17)21)12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H2,17,21)/t15-/m1/s1
InChIKeyGTGOZZIWMJMTJW-OAHLLOKOSA-N
MW282.35 g/mol
LogP1.37
Rot. Bonds3

About (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide

(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide (PubChem CID 95281735) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide
PubChem CID95281735
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide
SMILESCc1ncc2c(n1)CN([C@@H](C(N)=O)c1ccccc1)CC2
InChIInChI=1S/C16H18N4O/c1-11-18-9-13-7-8-20(10-14(13)19-11)15(16(17)21)12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H2,17,21)/t15-/m1/s1
InChIKeyGTGOZZIWMJMTJW-OAHLLOKOSA-N
XLogP1.37
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide (CID 95281735) is (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide is Cc1ncc2c(n1)CN([C@@H](C(N)=O)c1ccccc1)CC2.
What is the InChIKey of (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide?
The InChIKey is GTGOZZIWMJMTJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-18-9-13-7-8-20(10-14(13)19-11)15(16(17)21)12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H2,17,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide?
(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide has a molecular weight of 282.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide is sourced from PubChem (CID 95281735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).