(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine

C15H23N3 — CID 143343106

IUPAC(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine
SMILESC=C/C=C1/N=C(C=C)C=C(C(=C)CC)N1C.CN
InChIInChI=1S/C14H18N2.CH5N/c1-6-9-14-15-12(8-3)10-13(16(14)5)11(4)7-2;1-2/h6,8-10H,1,3-4,7H2,2,5H3;2H2,1H3/b14-9-;
InChIKeyASJBBNZBFXXGDJ-WQRRWHLMSA-N
MW245.37 g/mol
LogP3.01
Rot. Bonds4

About (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine

(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine (PubChem CID 143343106) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine.

Molecular Properties

Compound Name(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine
PubChem CID143343106
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine
SMILESC=C/C=C1/N=C(C=C)C=C(C(=C)CC)N1C.CN
InChIInChI=1S/C14H18N2.CH5N/c1-6-9-14-15-12(8-3)10-13(16(14)5)11(4)7-2;1-2/h6,8-10H,1,3-4,7H2,2,5H3;2H2,1H3/b14-9-;
InChIKeyASJBBNZBFXXGDJ-WQRRWHLMSA-N
XLogP3.01
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
acetylene;N-[(4,5-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1-[(2E)-2-ethylidene-1-methyl-6-prop-1-en-2-ylpyrimidin-4-yl]ethenamine;ethane
CID 143343143
[(2E)-6-but-1-en-2-yl-1-methyl-2-(2-methylprop-2-enylidene)pyrimidin-4-yl]methylidenephosphane
CID 143343608
Acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
CID 143345365
acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
CID 143345879
2-[(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methyl]prop-2-enenitrile
CID 143346692
(Z)-4-methylidene-2-[7-[[1-[(2E)-1-methyl-6-prop-1-en-2-yl-2-prop-2-enylidenepyrimidin-4-yl]ethenylamino]methyl]-1,3,4,9-tetrahydrocyclohepta[c]pyridin-2-yl]hex-2-en-3-amine
CID 143346983
1-N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethene-1,1-diamine
CID 155728081
N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine
CID 159526178
1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 167010313
(2Z)-1,6-dimethyl-2-[(4Z)-4-methylhexa-1,4-dien-3-ylidene]pyrimidin-4-amine
CID 169609178
N-[cyclohepta-1,4,6-trien-1-yl-[[(3E,5Z)-3-methylhepta-3,5-dien-2-ylidene]amino]methyl]-N-methylcyclohexa-1,5-dien-1-amine
CID 173782928

Frequently Asked Questions

What is the IUPAC name of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine?
The IUPAC name of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine (CID 143343106) is (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine.
What is the SMILES notation for (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine?
The canonical SMILES for (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine is C=C/C=C1/N=C(C=C)C=C(C(=C)CC)N1C.CN.
What is the InChIKey of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine?
The InChIKey is ASJBBNZBFXXGDJ-WQRRWHLMSA-N. The full InChI is InChI=1S/C14H18N2.CH5N/c1-6-9-14-15-12(8-3)10-13(16(14)5)11(4)7-2;1-2/h6,8-10H,1,3-4,7H2,2,5H3;2H2,1H3/b14-9-;.
What are the key properties of (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine?
(2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-but-1-en-2-yl-4-ethenyl-1-methyl-2-prop-2-enylidenepyrimidine;methanamine is sourced from PubChem (CID 143343106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).