(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone

C16H18N4O — CID 69268412

IUPAC(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCc3c(N)ncnc3C2)cc1
InChIInChI=1S/C16H18N4O/c1-2-11-3-5-12(6-4-11)16(21)20-8-7-13-14(9-20)18-10-19-15(13)17/h3-6,10H,2,7-9H2,1H3,(H2,17,18,19)
InChIKeyZIDRFHHVVWLKNJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.82
Rot. Bonds2

About (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone (PubChem CID 69268412) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
PubChem CID69268412
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCc3c(N)ncnc3C2)cc1
InChIInChI=1S/C16H18N4O/c1-2-11-3-5-12(6-4-11)16(21)20-8-7-13-14(9-20)18-10-19-15(13)17/h3-6,10H,2,7-9H2,1H3,(H2,17,18,19)
InChIKeyZIDRFHHVVWLKNJ-UHFFFAOYSA-N
XLogP1.82
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 69271185
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
CID 69269263
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 69330305
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone
CID 69266782
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone
CID 69269067
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone
CID 69269436
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 69269102
6-(4-ethylbenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593730
[4-(4-pentylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-phenylmethanone
CID 143595325
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870

Frequently Asked Questions

What is the IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone (CID 69268412) is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCc3c(N)ncnc3C2)cc1.
What is the InChIKey of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone?
The InChIKey is ZIDRFHHVVWLKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-11-3-5-12(6-4-11)16(21)20-8-7-13-14(9-20)18-10-19-15(13)17/h3-6,10H,2,7-9H2,1H3,(H2,17,18,19).
What are the key properties of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone?
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 69268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).