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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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).