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

C24H25N5 — CID 90032634

IUPACN-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H25N5/c1-16-7-6-10-22-19(16)13-17(2)29(22)24-27-21-11-12-25-15-20(21)23(28-24)26-14-18-8-4-3-5-9-18/h3-10,13,25H,11-12,14-15H2,1-2H3,(H,26,27,28)
InChIKeyKZLNNSRPTSCUBS-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.30
Rot. Bonds4

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

N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 90032634) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID90032634
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC NameN-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H25N5/c1-16-7-6-10-22-19(16)13-17(2)29(22)24-27-21-11-12-25-15-20(21)23(28-24)26-14-18-8-4-3-5-9-18/h3-10,13,25H,11-12,14-15H2,1-2H3,(H,26,27,28)
InChIKeyKZLNNSRPTSCUBS-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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 90032634) is N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2.
What is the InChIKey of N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KZLNNSRPTSCUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-16-7-6-10-22-19(16)13-17(2)29(22)24-27-21-11-12-25-15-20(21)23(28-24)26-14-18-8-4-3-5-9-18/h3-10,13,25H,11-12,14-15H2,1-2H3,(H,26,27,28).
What are the key properties of N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-benzyl-2-(2,4-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-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90032634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).