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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Related Compounds

6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 90136224
6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19134968
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 22540905
5-ethenyl-2-N-methylpyridine-2,3-diamine
CID 74890327
O-[(E)-2-[5-methyl-6-(methylamino)pyrimidin-4-yl]ethenyl]hydroxylamine
CID 118972868
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135072
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
1-[(5-amino-6-chloropyrimidin-4-yl)amino]prop-2-en-1-ol
CID 88512150
4-N-cyclohexyl-5-ethenyl-6-N-methylpyrimidine-4,6-diamine
CID 143008046
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
2-N-methylpyridine-2,3,4-triamine
CID 130593934

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).