N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

C14H14N4O — CID 103278875

IUPACN'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H14N4O/c15-6-8-17-14-16-7-5-11(18-14)13-9-10-3-1-2-4-12(10)19-13/h1-5,7,9H,6,8,15H2,(H,16,17,18)
InChIKeyGUAFZROFJZUJEI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.26
Rot. Bonds4

About N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 103278875) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID103278875
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H14N4O/c15-6-8-17-14-16-7-5-11(18-14)13-9-10-3-1-2-4-12(10)19-13/h1-5,7,9H,6,8,15H2,(H,16,17,18)
InChIKeyGUAFZROFJZUJEI-UHFFFAOYSA-N
XLogP2.26
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-[4-(1-benzofuran-2-yl)-2-pyridinyl]ethanamine
CID 82388761
4-[5-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine
CID 70104293
N'-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]ethane-1,2-diamine
CID 122457476
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
CID 114735069
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine
CID 42531849
N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 107355309
4-(5-bromo-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 55222406
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 103278875) is N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1nccc(-c2cc3ccccc3o2)n1.
What is the InChIKey of N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is GUAFZROFJZUJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-6-8-17-14-16-7-5-11(18-14)13-9-10-3-1-2-4-12(10)19-13/h1-5,7,9H,6,8,15H2,(H,16,17,18).
What are the key properties of N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 254.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 103278875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).