cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C21H26N4O — CID 56864851

IUPACcyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCc1ccc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cc1
InChIInChI=1S/C21H26N4O/c1-2-15-3-5-16(6-4-15)9-11-22-20-18-10-12-25(21(26)17-7-8-17)13-19(18)23-14-24-20/h3-6,14,17H,2,7-13H2,1H3,(H,22,23,24)
InChIKeyICZSYYVTDWVGRN-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.99
Rot. Bonds6

About cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56864851) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56864851
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Namecyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCc1ccc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cc1
InChIInChI=1S/C21H26N4O/c1-2-15-3-5-16(6-4-15)9-11-22-20-18-10-12-25(21(26)17-7-8-17)13-19(18)23-14-24-20/h3-6,14,17H,2,7-13H2,1H3,(H,22,23,24)
InChIKeyICZSYYVTDWVGRN-UHFFFAOYSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56864851) is cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CCc1ccc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cc1.
What is the InChIKey of cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is ICZSYYVTDWVGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-15-3-5-16(6-4-15)9-11-22-20-18-10-12-25(21(26)17-7-8-17)13-19(18)23-14-24-20/h3-6,14,17H,2,7-13H2,1H3,(H,22,23,24).
What are the key properties of cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(4-ethylphenyl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56864851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).