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

C22H22N6 — CID 73052243

IUPACN-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C22H22N6/c1-15-25-19-9-5-6-10-20(19)28(15)22-26-18-11-12-23-14-17(18)21(27-22)24-13-16-7-3-2-4-8-16/h2-10,23H,11-14H2,1H3,(H,24,26,27)
InChIKeyUMCBXBVXGADQEI-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.38
Rot. Bonds4

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

N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 73052243) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID73052243
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC NameN-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C22H22N6/c1-15-25-19-9-5-6-10-20(19)28(15)22-26-18-11-12-23-14-17(18)21(27-22)24-13-16-7-3-2-4-8-16/h2-10,23H,11-14H2,1H3,(H,24,26,27)
InChIKeyUMCBXBVXGADQEI-UHFFFAOYSA-N
XLogP3.38
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 73052243) is N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2.
What is the InChIKey of N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UMCBXBVXGADQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-15-25-19-9-5-6-10-20(19)28(15)22-26-18-11-12-23-14-17(18)21(27-22)24-13-16-7-3-2-4-8-16/h2-10,23H,11-14H2,1H3,(H,24,26,27).
What are the key properties of N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylbenzimidazol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 73052243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).