N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H17N5 — CID 119139524

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1ccc2nc(CNC3=NCCCN3)[nH]c2c1
InChIInChI=1S/C13H17N5/c1-9-3-4-10-11(7-9)18-12(17-10)8-16-13-14-5-2-6-15-13/h3-4,7H,2,5-6,8H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyRQTXXYXKDRIMRJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.31
Rot. Bonds2

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 119139524) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID119139524
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1ccc2nc(CNC3=NCCCN3)[nH]c2c1
InChIInChI=1S/C13H17N5/c1-9-3-4-10-11(7-9)18-12(17-10)8-16-13-14-5-2-6-15-13/h3-4,7H,2,5-6,8H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyRQTXXYXKDRIMRJ-UHFFFAOYSA-N
XLogP1.31
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 119139524) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Cc1ccc2nc(CNC3=NCCCN3)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is RQTXXYXKDRIMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-3-4-10-11(7-9)18-12(17-10)8-16-13-14-5-2-6-15-13/h3-4,7H,2,5-6,8H2,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 119139524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).