6-ethenyl-4-N-methylpyrimidine-4,5-diamine

C7H10N4 — CID 122643538

IUPAC6-ethenyl-4-N-methylpyrimidine-4,5-diamine
SMILESC=Cc1ncnc(NC)c1N
InChIInChI=1S/C7H10N4/c1-3-5-6(8)7(9-2)11-4-10-5/h3-4H,1,8H2,2H3,(H,9,10,11)
InChIKeyTYWXZZZBBLJHPQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.74
Rot. Bonds2

About 6-ethenyl-4-N-methylpyrimidine-4,5-diamine

6-ethenyl-4-N-methylpyrimidine-4,5-diamine (PubChem CID 122643538) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-ethenyl-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethenyl-4-N-methylpyrimidine-4,5-diamine
PubChem CID122643538
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name6-ethenyl-4-N-methylpyrimidine-4,5-diamine
SMILESC=Cc1ncnc(NC)c1N
InChIInChI=1S/C7H10N4/c1-3-5-6(8)7(9-2)11-4-10-5/h3-4H,1,8H2,2H3,(H,9,10,11)
InChIKeyTYWXZZZBBLJHPQ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethenyl-4-N-methylpyrimidine-4,5-diamine (CID 122643538) is 6-ethenyl-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethenyl-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethenyl-4-N-methylpyrimidine-4,5-diamine is C=Cc1ncnc(NC)c1N.
What is the InChIKey of 6-ethenyl-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is TYWXZZZBBLJHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-5-6(8)7(9-2)11-4-10-5/h3-4H,1,8H2,2H3,(H,9,10,11).
What are the key properties of 6-ethenyl-4-N-methylpyrimidine-4,5-diamine?
6-ethenyl-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 150.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 122643538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).