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

C8H10N4 — CID 177159082

IUPAC(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine
SMILES[H]/N=C/C=c1\c(N)nc(C)nc1=C
InChIInChI=1S/C8H10N4/c1-5-7(3-4-9)8(10)12-6(2)11-5/h3-4,9H,1H2,2H3,(H2,10,11,12)/b7-3-,9-4+
InChIKeySIQHIADIZBUCQE-CITSBAIRSA-N
MW162.20 g/mol
LogP-0.79
Rot. Bonds1

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

(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine (PubChem CID 177159082) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine.

Molecular Properties

Compound Name(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine
PubChem CID177159082
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine
SMILES[H]/N=C/C=c1\c(N)nc(C)nc1=C
InChIInChI=1S/C8H10N4/c1-5-7(3-4-9)8(10)12-6(2)11-5/h3-4,9H,1H2,2H3,(H2,10,11,12)/b7-3-,9-4+
InChIKeySIQHIADIZBUCQE-CITSBAIRSA-N
XLogP-0.79
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 5-0.79
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?
The IUPAC name of (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine (CID 177159082) is (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine.
What is the SMILES notation for (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine?
The canonical SMILES for (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine is [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?
The InChIKey is SIQHIADIZBUCQE-CITSBAIRSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-7(3-4-9)8(10)12-6(2)11-5/h3-4,9H,1H2,2H3,(H2,10,11,12)/b7-3-,9-4+.
What are the key properties of (5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine?
(5Z)-5-(2-iminoethylidene)-2-methyl-6-methylidenepyrimidin-4-amine has a molecular weight of 162.20 g/mol, XLogP of -0.79, 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 is sourced from PubChem (CID 177159082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).