4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine

C8H13N5 — CID 174332298

IUPAC4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine
SMILES[H]/N=c1/c(N)c(N(C)C=C)ncn1C
InChIInChI=1S/C8H13N5/c1-4-12(2)8-6(9)7(10)13(3)5-11-8/h4-5,10H,1,9H2,2-3H3/b10-7-
InChIKeyMMZBVJIJWUWQRI-YFHOEESVSA-N
MW179.23 g/mol
LogP0.06
Rot. Bonds2

About 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine

4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine (PubChem CID 174332298) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine
PubChem CID174332298
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine
SMILES[H]/N=c1/c(N)c(N(C)C=C)ncn1C
InChIInChI=1S/C8H13N5/c1-4-12(2)8-6(9)7(10)13(3)5-11-8/h4-5,10H,1,9H2,2-3H3/b10-7-
InChIKeyMMZBVJIJWUWQRI-YFHOEESVSA-N
XLogP0.06
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine (CID 174332298) is 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine is [H]/N=c1/c(N)c(N(C)C=C)ncn1C.
What is the InChIKey of 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine?
The InChIKey is MMZBVJIJWUWQRI-YFHOEESVSA-N. The full InChI is InChI=1S/C8H13N5/c1-4-12(2)8-6(9)7(10)13(3)5-11-8/h4-5,10H,1,9H2,2-3H3/b10-7-.
What are the key properties of 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine?
4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine has a molecular weight of 179.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethenyl-6-imino-4-N,1-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 174332298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).