4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine

C16H13N5O — CID 170970828

IUPAC4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
SMILESc1coc(CNc2nccc(-c3ccc4nc[nH]c4c3)n2)c1
InChIInChI=1S/C16H13N5O/c1-2-12(22-7-1)9-18-16-17-6-5-13(21-16)11-3-4-14-15(8-11)20-10-19-14/h1-8,10H,9H2,(H,19,20)(H,17,18,21)
InChIKeyKJGXMFXPSVFSNJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.22
Rot. Bonds4

About 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine

4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 170970828) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
PubChem CID170970828
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
SMILESc1coc(CNc2nccc(-c3ccc4nc[nH]c4c3)n2)c1
InChIInChI=1S/C16H13N5O/c1-2-12(22-7-1)9-18-16-17-6-5-13(21-16)11-3-4-14-15(8-11)20-10-19-14/h1-8,10H,9H2,(H,19,20)(H,17,18,21)
InChIKeyKJGXMFXPSVFSNJ-UHFFFAOYSA-N
XLogP3.22
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 171989155
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970601
S-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]thiohydroxylamine
CID 170970796
6-[2-(2-chloroethyl)pyrimidin-4-yl]-1H-benzimidazole
CID 116899357
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
CID 31638485
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
4-(3H-benzimidazol-5-yl)-N-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 170970687
4-(3H-benzimidazol-5-yl)-N-[3-(trifluoromethylsulfinyl)phenyl]pyrimidin-2-amine
CID 170970839

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine (CID 170970828) is 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine is c1coc(CNc2nccc(-c3ccc4nc[nH]c4c3)n2)c1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is KJGXMFXPSVFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-12(22-7-1)9-18-16-17-6-5-13(21-16)11-3-4-14-15(8-11)20-10-19-14/h1-8,10H,9H2,(H,19,20)(H,17,18,21).
What are the key properties of 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine?
4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 291.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 170970828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).