(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine

C9H14N2 — CID 154552223

IUPAC(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine
SMILESC=C/C=C1\CC(C)N(C)C=N1
InChIInChI=1S/C9H14N2/c1-4-5-9-6-8(2)11(3)7-10-9/h4-5,7-8H,1,6H2,2-3H3/b9-5+
InChIKeyAWJWXHRUOSXWGV-WEVVVXLNSA-N
MW150.22 g/mol
LogP1.81
Rot. Bonds1

About (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine

(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine (PubChem CID 154552223) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine.

Molecular Properties

Compound Name(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine
PubChem CID154552223
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine
SMILESC=C/C=C1\CC(C)N(C)C=N1
InChIInChI=1S/C9H14N2/c1-4-5-9-6-8(2)11(3)7-10-9/h4-5,7-8H,1,6H2,2-3H3/b9-5+
InChIKeyAWJWXHRUOSXWGV-WEVVVXLNSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
3-Methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine
CID 123552098
1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine
CID 123662192
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
4-ethyl-3,6-dimethyl-4H-pyrimidine
CID 144625256
N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide
CID 146531997
(6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine
CID 163468019
(6E)-1-methyl-4-methylidene-6-[(2Z)-penta-2,4-dienylidene]pyrimidine
CID 164031247
(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-4H-pyrimidine
CID 170151635
N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide
CID 170199746

Frequently Asked Questions

What is the IUPAC name of (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
The IUPAC name of (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine (CID 154552223) is (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine.
What is the SMILES notation for (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
The canonical SMILES for (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine is C=C/C=C1\CC(C)N(C)C=N1.
What is the InChIKey of (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
The InChIKey is AWJWXHRUOSXWGV-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-9-6-8(2)11(3)7-10-9/h4-5,7-8H,1,6H2,2-3H3/b9-5+.
What are the key properties of (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine is sourced from PubChem (CID 154552223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).