1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine

C7H10N4 — CID 139390411

IUPAC1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine
SMILESC=C(N)Nc1nccc(C)n1
InChIInChI=1S/C7H10N4/c1-5-3-4-9-7(10-5)11-6(2)8/h3-4H,2,8H2,1H3,(H,9,10,11)
InChIKeyVBNFSQSSIXODPP-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.63
Rot. Bonds2

About 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine

1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine (PubChem CID 139390411) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine
PubChem CID139390411
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine
SMILESC=C(N)Nc1nccc(C)n1
InChIInChI=1S/C7H10N4/c1-5-3-4-9-7(10-5)11-6(2)8/h3-4H,2,8H2,1H3,(H,9,10,11)
InChIKeyVBNFSQSSIXODPP-UHFFFAOYSA-N
XLogP0.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine (CID 139390411) is 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine is C=C(N)Nc1nccc(C)n1.
What is the InChIKey of 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine?
The InChIKey is VBNFSQSSIXODPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-5-3-4-9-7(10-5)11-6(2)8/h3-4H,2,8H2,1H3,(H,9,10,11).
What are the key properties of 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine?
1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine has a molecular weight of 150.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine is sourced from PubChem (CID 139390411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).