4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine

C7H13N5 — CID 137245181

IUPAC4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine
SMILESC=CNC1=C(N)/C(=N/C)NCN1
InChIInChI=1S/C7H13N5/c1-3-10-7-5(8)6(9-2)11-4-12-7/h3,10,12H,1,4,8H2,2H3,(H,9,11)
InChIKeyZFWPPAYHLTXIKR-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.97
Rot. Bonds2

About 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine

4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine (PubChem CID 137245181) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine
PubChem CID137245181
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine
SMILESC=CNC1=C(N)/C(=N/C)NCN1
InChIInChI=1S/C7H13N5/c1-3-10-7-5(8)6(9-2)11-4-12-7/h3,10,12H,1,4,8H2,2H3,(H,9,11)
InChIKeyZFWPPAYHLTXIKR-UHFFFAOYSA-N
XLogP-0.97
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
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 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine (CID 137245181) is 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine is C=CNC1=C(N)/C(=N/C)NCN1.
What is the InChIKey of 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine?
The InChIKey is ZFWPPAYHLTXIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-10-7-5(8)6(9-2)11-4-12-7/h3,10,12H,1,4,8H2,2H3,(H,9,11).
What are the key properties of 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine?
4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine has a molecular weight of 167.22 g/mol, XLogP of -0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 137245181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).