6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C19H19N7 — CID 5328380

IUPAC6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1
InChIInChI=1S/C19H19N7/c1-13-3-2-4-14(7-13)26-19-16-8-18(22-10-17(16)24-12-25-19)21-6-5-15-9-20-11-23-15/h2-4,7-12H,5-6H2,1H3,(H,20,23)(H,21,22)(H,24,25,26)
InChIKeyHYWSAKRCBCFZNH-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.45
Rot. Bonds6

About 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328380) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328380
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1
InChIInChI=1S/C19H19N7/c1-13-3-2-4-14(7-13)26-19-16-8-18(22-10-17(16)24-12-25-19)21-6-5-15-9-20-11-23-15/h2-4,7-12H,5-6H2,1H3,(H,20,23)(H,21,22)(H,24,25,26)
InChIKeyHYWSAKRCBCFZNH-UHFFFAOYSA-N
XLogP3.45
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328380) is 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1.
What is the InChIKey of 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is HYWSAKRCBCFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-13-3-2-4-14(7-13)26-19-16-8-18(22-10-17(16)24-12-25-19)21-6-5-15-9-20-11-23-15/h2-4,7-12H,5-6H2,1H3,(H,20,23)(H,21,22)(H,24,25,26).
What are the key properties of 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 345.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(1H-imidazol-5-yl)ethyl]-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).