2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine

C19H17N4+ — CID 123597647

IUPAC2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine
SMILESCc1nc2cc(-c3ccccc3)[nH]c2c(Nc2ccccc2)[nH+]1
InChIInChI=1S/C19H16N4/c1-13-20-17-12-16(14-8-4-2-5-9-14)23-18(17)19(21-13)22-15-10-6-3-7-11-15/h2-12,23H,1H3,(H,20,21,22)/p+1
InChIKeyHDLPVGHOVBWOPQ-UHFFFAOYSA-O
MW301.37 g/mol
LogP4.10
Rot. Bonds3

About 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine

2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine (PubChem CID 123597647) has the molecular formula C19H17N4+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine.

Molecular Properties

Compound Name2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine
PubChem CID123597647
Molecular FormulaC19H17N4+
Molecular Weight301.37 g/mol
Exact Mass301.14
IUPAC Name2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine
SMILESCc1nc2cc(-c3ccccc3)[nH]c2c(Nc2ccccc2)[nH+]1
InChIInChI=1S/C19H16N4/c1-13-20-17-12-16(14-8-4-2-5-9-14)23-18(17)19(21-13)22-15-10-6-3-7-11-15/h2-12,23H,1H3,(H,20,21,22)/p+1
InChIKeyHDLPVGHOVBWOPQ-UHFFFAOYSA-O
XLogP4.10
TPSA54.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine
CID 124603534
N,5-diphenyl-1H-pyrrol-2-amine
CID 151095134
2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole
CID 121012004
2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 21258108
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 11792634
2-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 86280871
N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid
CID 174768058
4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
CID 164666039
6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 10685135
N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 144764894
8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
CID 102599004
4-chloro-2-(2-methylpropyl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-1-ium
CID 124603731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine?
The IUPAC name of 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine (CID 123597647) is 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine.
What is the SMILES notation for 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine?
The canonical SMILES for 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine is Cc1nc2cc(-c3ccccc3)[nH]c2c(Nc2ccccc2)[nH+]1.
What is the InChIKey of 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine?
The InChIKey is HDLPVGHOVBWOPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N4/c1-13-20-17-12-16(14-8-4-2-5-9-14)23-18(17)19(21-13)22-15-10-6-3-7-11-15/h2-12,23H,1H3,(H,20,21,22)/p+1.
What are the key properties of 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine?
2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine has a molecular weight of 301.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine is sourced from PubChem (CID 123597647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).