(5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine

C12H18N2 — CID 143256511

IUPAC(5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
SMILESC=C(C)/C=C1/NC(C)N=C/C1=C/CC
InChIInChI=1S/C12H18N2/c1-5-6-11-8-13-10(4)14-12(11)7-9(2)3/h6-8,10,14H,2,5H2,1,3-4H3/b11-6-,12-7+
InChIKeyTZFHZNSPAQFNEW-TWTKIJFOSA-N
MW190.29 g/mol
LogP2.80
Rot. Bonds2

About (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine

(5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine (PubChem CID 143256511) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine.

Molecular Properties

Compound Name(5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
PubChem CID143256511
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
SMILESC=C(C)/C=C1/NC(C)N=C/C1=C/CC
InChIInChI=1S/C12H18N2/c1-5-6-11-8-13-10(4)14-12(11)7-9(2)3/h6-8,10,14H,2,5H2,1,3-4H3/b11-6-,12-7+
InChIKeyTZFHZNSPAQFNEW-TWTKIJFOSA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5Z)-N,N-diethyl-5-[6-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-1,2-dihydropyridin-3-ylidene]penta-1,3-dien-3-amine
CID 173518248
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
CID 90782623
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
(6-Methyl-1,2-dihydropyridin-4-yl)methanimine
CID 118486764
7-N,4-diethyl-3H-azepine-5,7-diamine
CID 118946189
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
CID 126583286
N-methyl-N'-[(6Z)-6-[(methylideneamino)methylidene]-3-pyrazol-4-ylidenecyclohexa-1,4-dien-1-yl]methanediamine
CID 129273216
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
CID 130343762
(6Z)-5-methylidene-6-propylidene-1,2-dihydropyrimidine
CID 130389549
(2E,4E,6Z)-3-methanimidoyl-N-methylocta-2,4,6-trien-4-amine
CID 132064933
(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine
CID 134473203

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
The IUPAC name of (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine (CID 143256511) is (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine.
What is the SMILES notation for (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
The canonical SMILES for (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine is C=C(C)/C=C1/NC(C)N=C/C1=C/CC.
What is the InChIKey of (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
The InChIKey is TZFHZNSPAQFNEW-TWTKIJFOSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-6-11-8-13-10(4)14-12(11)7-9(2)3/h6-8,10,14H,2,5H2,1,3-4H3/b11-6-,12-7+.
What are the key properties of (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine?
(5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine has a molecular weight of 190.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-2-methyl-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine is sourced from PubChem (CID 143256511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).