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

C22H22N6O — CID 73052240

IUPACN-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C22H22N6O/c1-29-22-26-18-9-5-6-10-19(18)28(22)21-25-17-11-12-23-14-16(17)20(27-21)24-13-15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3,(H,24,25,27)
InChIKeyHVVDVXJCOGZSOS-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.08
Rot. Bonds5

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

N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 73052240) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID73052240
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C22H22N6O/c1-29-22-26-18-9-5-6-10-19(18)28(22)21-25-17-11-12-23-14-16(17)20(27-21)24-13-15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3,(H,24,25,27)
InChIKeyHVVDVXJCOGZSOS-UHFFFAOYSA-N
XLogP3.08
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 73052240) is N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is COc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2.
What is the InChIKey of N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is HVVDVXJCOGZSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-29-22-26-18-9-5-6-10-19(18)28(22)21-25-17-11-12-23-14-16(17)20(27-21)24-13-15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3,(H,24,25,27).
What are the key properties of N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methoxybenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 73052240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).