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

C23H23N5 — CID 150108036

IUPACN-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)NCCC2
InChIInChI=1S/C23H23N5/c1-16-14-18-10-5-6-12-20(18)28(16)23-26-19-11-7-13-24-21(19)22(27-23)25-15-17-8-3-2-4-9-17/h2-6,8-10,12,14,24H,7,11,13,15H2,1H3,(H,25,26,27)
InChIKeyDWQVHLUGVVZOTH-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.70
Rot. Bonds4

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

N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine (PubChem CID 150108036) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine
PubChem CID150108036
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC NameN-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)NCCC2
InChIInChI=1S/C23H23N5/c1-16-14-18-10-5-6-12-20(18)28(16)23-26-19-11-7-13-24-21(19)22(27-23)25-15-17-8-3-2-4-9-17/h2-6,8-10,12,14,24H,7,11,13,15H2,1H3,(H,25,26,27)
InChIKeyDWQVHLUGVVZOTH-UHFFFAOYSA-N
XLogP4.70
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.70
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-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine (CID 150108036) is N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine is Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)NCCC2.
What is the InChIKey of N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DWQVHLUGVVZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-16-14-18-10-5-6-12-20(18)28(16)23-26-19-11-7-13-24-21(19)22(27-23)25-15-17-8-3-2-4-9-17/h2-6,8-10,12,14,24H,7,11,13,15H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine?
N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 4.70, 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-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 150108036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).