5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine

C8H12N4 — CID 126593494

IUPAC5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
SMILESC=C1NC(N)=NC(C)=C1/C=C\N
InChIInChI=1S/C8H12N4/c1-5-7(3-4-9)6(2)12-8(10)11-5/h3-4H,1,9H2,2H3,(H3,10,11,12)/b4-3-
InChIKeyDHJQKFLCIZIRNX-ARJAWSKDSA-N
MW164.21 g/mol
LogP0.16
Rot. Bonds1

About 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine

5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine (PubChem CID 126593494) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
PubChem CID126593494
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
SMILESC=C1NC(N)=NC(C)=C1/C=C\N
InChIInChI=1S/C8H12N4/c1-5-7(3-4-9)6(2)12-8(10)11-5/h3-4H,1,9H2,2H3,(H3,10,11,12)/b4-3-
InChIKeyDHJQKFLCIZIRNX-ARJAWSKDSA-N
XLogP0.16
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The IUPAC name of 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine (CID 126593494) is 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine.
What is the SMILES notation for 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The canonical SMILES for 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine is C=C1NC(N)=NC(C)=C1/C=C\N.
What is the InChIKey of 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The InChIKey is DHJQKFLCIZIRNX-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-7(3-4-9)6(2)12-8(10)11-5/h3-4H,1,9H2,2H3,(H3,10,11,12)/b4-3-.
What are the key properties of 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine is sourced from PubChem (CID 126593494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).