N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C24H25N5 — CID 127039986

IUPACN-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H25N5/c1-16-8-9-22-19(12-16)13-17(2)29(22)24-27-21-10-11-25-15-20(21)23(28-24)26-14-18-6-4-3-5-7-18/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28)
InChIKeyZOVFVICKRMORLF-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.30
Rot. Bonds4

About N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 127039986) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID127039986
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC NameN-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H25N5/c1-16-8-9-22-19(12-16)13-17(2)29(22)24-27-21-10-11-25-15-20(21)23(28-24)26-14-18-6-4-3-5-7-18/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28)
InChIKeyZOVFVICKRMORLF-UHFFFAOYSA-N
XLogP4.30
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 73051280
[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indol-2-yl]methylurea
CID 90032416
N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine
CID 150108036
2-methyl-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145292
N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102079
N-benzyl-2-(2-methyl-4-methylsulfonylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 73052879
N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide
CID 118240431
N-[1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindol-4-yl]propanamide
CID 155510447
N-[(4-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145286
[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
N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 141401056

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 127039986) is N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1ccc2c(c1)cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2.
What is the InChIKey of N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is ZOVFVICKRMORLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-16-8-9-22-19(12-16)13-17(2)29(22)24-27-21-10-11-25-15-20(21)23(28-24)26-14-18-6-4-3-5-7-18/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28).
What are the key properties of N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,5-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127039986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).