[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid

C14H15N7O2 — CID 142158458

IUPAC[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid
SMILESNCCNc1ncc(-c2ccc3nc(NC(=O)O)[nH]c3c2)cn1
InChIInChI=1S/C14H15N7O2/c15-3-4-16-12-17-6-9(7-18-12)8-1-2-10-11(5-8)20-13(19-10)21-14(22)23/h1-2,5-7H,3-4,15H2,(H,22,23)(H,16,17,18)(H2,19,20,21)
InChIKeyMQXOPBRNFJZHNO-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.48
Rot. Bonds5

About [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid

[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 142158458) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid
PubChem CID142158458
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid
SMILESNCCNc1ncc(-c2ccc3nc(NC(=O)O)[nH]c3c2)cn1
InChIInChI=1S/C14H15N7O2/c15-3-4-16-12-17-6-9(7-18-12)8-1-2-10-11(5-8)20-13(19-10)21-14(22)23/h1-2,5-7H,3-4,15H2,(H,22,23)(H,16,17,18)(H2,19,20,21)
InChIKeyMQXOPBRNFJZHNO-UHFFFAOYSA-N
XLogP1.48
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamate
CID 21366076
prop-2-ynyl N-(6-phenyl-1H-benzimidazol-2-yl)carbamate
CID 21366127
[6-[(E)-but-2-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21328024
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamic acid
CID 19105251
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
CID 67842381
4-[[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyrimidin-2-yl]amino]butanoic acid
CID 71730104
[6-(5-tert-butyl-2-methylphenyl)sulfinyl-1H-benzimidazol-2-yl]carbamic acid
CID 150743197
[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67736355
N-[[3-(2-acetamido-3H-benzimidazol-5-yl)phenyl]methyl]benzamide
CID 175436695
5-[2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl]pyridine-3-carboxylic acid
CID 21366066
N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide
CID 177417109

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid?
The IUPAC name of [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid (CID 142158458) is [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid.
What is the SMILES notation for [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid?
The canonical SMILES for [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid is NCCNc1ncc(-c2ccc3nc(NC(=O)O)[nH]c3c2)cn1.
What is the InChIKey of [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid?
The InChIKey is MQXOPBRNFJZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c15-3-4-16-12-17-6-9(7-18-12)8-1-2-10-11(5-8)20-13(19-10)21-14(22)23/h1-2,5-7H,3-4,15H2,(H,22,23)(H,16,17,18)(H2,19,20,21).
What are the key properties of [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid?
[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 313.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 142158458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).