5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine

C7H11N5 — CID 154937324

IUPAC5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1C=CN
InChIInChI=1S/C7H11N5/c1-10-6-5(2-3-8)4-11-7(9)12-6/h2-4H,8H2,1H3,(H3,9,10,11,12)
InChIKeySOFQFTJACSCQEF-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.03
Rot. Bonds2

About 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine

5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 154937324) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID154937324
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1C=CN
InChIInChI=1S/C7H11N5/c1-10-6-5(2-3-8)4-11-7(9)12-6/h2-4H,8H2,1H3,(H3,9,10,11,12)
InChIKeySOFQFTJACSCQEF-UHFFFAOYSA-N
XLogP0.03
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone
CID 159487487
4-N-ethylpyrimidine-2,4,5-triamine
CID 167243214
5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine
CID 170486747
4-N-butan-2-yl-5-methylpyrimidine-2,4-diamine
CID 67950742
5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine
CID 134569016
3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enenitrile
CID 169483279
5-ethenyl-2-N-methylpyridine-2,3-diamine
CID 74890327
5-fluoro-4-N-[1-(furan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780792
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474
5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 91079604
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine (CID 154937324) is 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1nc(N)ncc1C=CN.
What is the InChIKey of 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is SOFQFTJACSCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-10-6-5(2-3-8)4-11-7(9)12-6/h2-4H,8H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine?
5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 165.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 154937324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).