ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine

C13H21N5 — CID 142225179

IUPACethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine
SMILESC=C/C=c1/nc(N=C(N)N)nc(C)/c1=C/C.CC
InChIInChI=1S/C11H15N5.C2H6/c1-4-6-9-8(5-2)7(3)14-11(15-9)16-10(12)13;1-2/h4-6H,1H2,2-3H3,(H4,12,13,15,16);1-2H3/b8-5-,9-6+;
InChIKeyCJJWBRCONVPGCZ-BJHRKZFFSA-N
MW247.35 g/mol
LogP0.48
Rot. Bonds2

About ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine

ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine (PubChem CID 142225179) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine.

Molecular Properties

Compound Nameethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine
PubChem CID142225179
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Nameethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine
SMILESC=C/C=c1/nc(N=C(N)N)nc(C)/c1=C/C.CC
InChIInChI=1S/C11H15N5.C2H6/c1-4-6-9-8(5-2)7(3)14-11(15-9)16-10(12)13;1-2/h4-6H,1H2,2-3H3,(H4,12,13,15,16);1-2H3/b8-5-,9-6+;
InChIKeyCJJWBRCONVPGCZ-BJHRKZFFSA-N
XLogP0.48
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1-methyl-5h-pyrido[3,4-b]indole
CID 101206933
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
(2E,4Z)-5-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hepta-2,4-dien-4-amine
CID 88224971
2-Ethyl-4-methylideneindol-3-amine
CID 88747308
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
CID 89441659
(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine
CID 89441676
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
5-(4-Ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
CID 123864881
2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine
CID 129103002
(4E,5E)-4,5-di(ethylidene)-2,6-dimethylpyrimidine
CID 130351162
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine?
The IUPAC name of ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine (CID 142225179) is ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine.
What is the SMILES notation for ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine?
The canonical SMILES for ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine is C=C/C=c1/nc(N=C(N)N)nc(C)/c1=C/C.CC.
What is the InChIKey of ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine?
The InChIKey is CJJWBRCONVPGCZ-BJHRKZFFSA-N. The full InChI is InChI=1S/C11H15N5.C2H6/c1-4-6-9-8(5-2)7(3)14-11(15-9)16-10(12)13;1-2/h4-6H,1H2,2-3H3,(H4,12,13,15,16);1-2H3/b8-5-,9-6+;.
What are the key properties of ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine?
ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine has a molecular weight of 247.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(5E,6E)-5-ethylidene-4-methyl-6-prop-2-enylidenepyrimidin-2-yl]guanidine is sourced from PubChem (CID 142225179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).