1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone

C21H20N4O — CID 69269436

IUPAC1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone
SMILESNc1ncnc2c1CCN(C(=O)C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H20N4O/c22-20-17-11-12-25(13-18(17)23-14-24-20)21(26)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,19H,11-13H2,(H2,22,23,24)
InChIKeyROJYVLUIDNDJLH-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.78
Rot. Bonds3

About 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone

1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone (PubChem CID 69269436) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone
PubChem CID69269436
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone
SMILESNc1ncnc2c1CCN(C(=O)C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H20N4O/c22-20-17-11-12-25(13-18(17)23-14-24-20)21(26)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,19H,11-13H2,(H2,22,23,24)
InChIKeyROJYVLUIDNDJLH-UHFFFAOYSA-N
XLogP2.78
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone (CID 69269436) is 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone is Nc1ncnc2c1CCN(C(=O)C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone?
The InChIKey is ROJYVLUIDNDJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c22-20-17-11-12-25(13-18(17)23-14-24-20)21(26)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,19H,11-13H2,(H2,22,23,24).
What are the key properties of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone?
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone has a molecular weight of 344.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone is sourced from PubChem (CID 69269436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).