(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane

C11H18N4 — CID 177159081

IUPAC(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane
SMILESCCC.[H]/N=C/C=c1\c(N)nc(C)nc1=C
InChIInChI=1S/C8H10N4.C3H8/c1-5-7(3-4-9)8(10)12-6(2)11-5;1-3-2/h3-4,9H,1H2,2H3,(H2,10,11,12);3H2,1-2H3/b7-3-,9-4+;
InChIKeyJYJZKUYUCPEMCB-FYNPSTCJSA-N
MW206.29 g/mol
LogP0.62
Rot. Bonds1

About (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane

(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane (PubChem CID 177159081) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane.

Molecular Properties

Compound Name(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane
PubChem CID177159081
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane
SMILESCCC.[H]/N=C/C=c1\c(N)nc(C)nc1=C
InChIInChI=1S/C8H10N4.C3H8/c1-5-7(3-4-9)8(10)12-6(2)11-5;1-3-2/h3-4,9H,1H2,2H3,(H2,10,11,12);3H2,1-2H3/b7-3-,9-4+;
InChIKeyJYJZKUYUCPEMCB-FYNPSTCJSA-N
XLogP0.62
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane?
The IUPAC name of (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane (CID 177159081) is (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane.
What is the SMILES notation for (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane?
The canonical SMILES for (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane is CCC.[H]/N=C/C=c1\c(N)nc(C)nc1=C.
What is the InChIKey of (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane?
The InChIKey is JYJZKUYUCPEMCB-FYNPSTCJSA-N. The full InChI is InChI=1S/C8H10N4.C3H8/c1-5-7(3-4-9)8(10)12-6(2)11-5;1-3-2/h3-4,9H,1H2,2H3,(H2,10,11,12);3H2,1-2H3/b7-3-,9-4+;.
What are the key properties of (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane?
(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane has a molecular weight of 206.29 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine;propane is sourced from PubChem (CID 177159081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).