2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C22H23N7 — CID 58523926

IUPAC2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCc2c(nc(-n3c(N)nc4ccccc43)nc2NCc2ccccc2)C1
InChIInChI=1S/C22H23N7/c1-28-12-11-16-18(14-28)26-22(27-20(16)24-13-15-7-3-2-4-8-15)29-19-10-6-5-9-17(19)25-21(29)23/h2-10H,11-14H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyVQFICUOMLXUMEY-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 58523926) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID58523926
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCc2c(nc(-n3c(N)nc4ccccc43)nc2NCc2ccccc2)C1
InChIInChI=1S/C22H23N7/c1-28-12-11-16-18(14-28)26-22(27-20(16)24-13-15-7-3-2-4-8-15)29-19-10-6-5-9-17(19)25-21(29)23/h2-10H,11-14H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyVQFICUOMLXUMEY-UHFFFAOYSA-N
XLogP3.00
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

[1-[4-(benzylamino)-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-methylindol-4-yl]boronic acid
CID 145206016
[1-[4-(benzylamino)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]-2-methylindol-4-yl]boronic acid
CID 145206084
2-(2-aminobenzimidazol-1-yl)-N-benzyl-10-methoxypyrimido[5,4-b][1,8]naphthyridin-4-amine
CID 58523902
N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 73051280
1-(benzylamino)-3-chloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 823255
1-[4-(benzylamino)-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-benzothiophene-4-carboxamide
CID 118239561
N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 141401056
N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 172802990
N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 118331920
N-benzyl-2-(2-methyl-4-methylsulfonylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 73052879
[3-[[[2-(4-carbamoyl-2-methyl-2,3-dihydroindol-1-yl)-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205924
1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-propan-2-ylindole-4-carboxamide
CID 73051760

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 58523926) is 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CN1CCc2c(nc(-n3c(N)nc4ccccc43)nc2NCc2ccccc2)C1.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VQFICUOMLXUMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-28-12-11-16-18(14-28)26-22(27-20(16)24-13-15-7-3-2-4-8-15)29-19-10-6-5-9-17(19)25-21(29)23/h2-10H,11-14H2,1H3,(H2,23,25)(H,24,26,27).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 385.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58523926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).