[4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone

C28H28N6O2 — CID 59647870

IUPAC[4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
SMILESCc1ccc(-c2ccc3nc(N)nc(N4CCN(C(=O)C5CCc6ccccc6O5)CC4)c3n2)cc1
InChIInChI=1S/C28H28N6O2/c1-18-6-8-19(9-7-18)21-11-12-22-25(30-21)26(32-28(29)31-22)33-14-16-34(17-15-33)27(35)24-13-10-20-4-2-3-5-23(20)36-24/h2-9,11-12,24H,10,13-17H2,1H3,(H2,29,31,32)
InChIKeyUPDRSQUVBUWRBT-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.62
Rot. Bonds3

About [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone

[4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone (PubChem CID 59647870) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
PubChem CID59647870
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name[4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
SMILESCc1ccc(-c2ccc3nc(N)nc(N4CCN(C(=O)C5CCc6ccccc6O5)CC4)c3n2)cc1
InChIInChI=1S/C28H28N6O2/c1-18-6-8-19(9-7-18)21-11-12-22-25(30-21)26(32-28(29)31-22)33-14-16-34(17-15-33)27(35)24-13-10-20-4-2-3-5-23(20)36-24/h2-9,11-12,24H,10,13-17H2,1H3,(H2,29,31,32)
InChIKeyUPDRSQUVBUWRBT-UHFFFAOYSA-N
XLogP3.62
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
The IUPAC name of [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone (CID 59647870) is [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone.
What is the SMILES notation for [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
The canonical SMILES for [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone is Cc1ccc(-c2ccc3nc(N)nc(N4CCN(C(=O)C5CCc6ccccc6O5)CC4)c3n2)cc1.
What is the InChIKey of [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
The InChIKey is UPDRSQUVBUWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-18-6-8-19(9-7-18)21-11-12-22-25(30-21)26(32-28(29)31-22)33-14-16-34(17-15-33)27(35)24-13-10-20-4-2-3-5-23(20)36-24/h2-9,11-12,24H,10,13-17H2,1H3,(H2,29,31,32).
What are the key properties of [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone?
[4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone has a molecular weight of 480.57 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone is sourced from PubChem (CID 59647870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).