3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine

C10H15N5O — CID 147888333

IUPAC3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine
SMILESCC/N=C/C(=CN)Nc1nccc(OC)n1
InChIInChI=1S/C10H15N5O/c1-3-12-7-8(6-11)14-10-13-5-4-9(15-10)16-2/h4-7H,3,11H2,1-2H3,(H,13,14,15)/b8-6?,12-7+
InChIKeyHJHTYRHGAMHQQB-SUXIFNBGSA-N
MW221.26 g/mol
LogP0.79
Rot. Bonds5

About 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine

3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine (PubChem CID 147888333) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine
PubChem CID147888333
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine
SMILESCC/N=C/C(=CN)Nc1nccc(OC)n1
InChIInChI=1S/C10H15N5O/c1-3-12-7-8(6-11)14-10-13-5-4-9(15-10)16-2/h4-7H,3,11H2,1-2H3,(H,13,14,15)/b8-6?,12-7+
InChIKeyHJHTYRHGAMHQQB-SUXIFNBGSA-N
XLogP0.79
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine?
The IUPAC name of 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine (CID 147888333) is 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine.
What is the SMILES notation for 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine?
The canonical SMILES for 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine is CC/N=C/C(=CN)Nc1nccc(OC)n1.
What is the InChIKey of 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine?
The InChIKey is HJHTYRHGAMHQQB-SUXIFNBGSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-12-7-8(6-11)14-10-13-5-4-9(15-10)16-2/h4-7H,3,11H2,1-2H3,(H,13,14,15)/b8-6?,12-7+.
What are the key properties of 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine?
3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine has a molecular weight of 221.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-2-N-(4-methoxypyrimidin-2-yl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 147888333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).