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

C10H16N2 — CID 163468019

IUPAC(6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine
SMILESC=C/C=C1\CC(CC)N(C)C=N1
InChIInChI=1S/C10H16N2/c1-4-6-9-7-10(5-2)12(3)8-11-9/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+
InChIKeyBUGDTECXTSVUML-RMKNXTFCSA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds2

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

(6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine (PubChem CID 163468019) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine.

Molecular Properties

Compound Name(6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine
PubChem CID163468019
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine
SMILESC=C/C=C1\CC(CC)N(C)C=N1
InChIInChI=1S/C10H16N2/c1-4-6-9-7-10(5-2)12(3)8-11-9/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+
InChIKeyBUGDTECXTSVUML-RMKNXTFCSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine
CID 123662192
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
CID 134239526
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide
CID 146531997
(6E)-3,4-dimethyl-6-prop-2-enylidene-4,5-dihydropyrimidine
CID 154552223
(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
N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide
CID 175626699
N-[(4E,6Z)-4-ethylnona-4,6-dien-2-yl]-N,N'-dimethylmethanimidamide
CID 143159768
4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461578

Frequently Asked Questions

What is the IUPAC name of (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
The IUPAC name of (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine (CID 163468019) is (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine.
What is the SMILES notation for (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
The canonical SMILES for (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine is C=C/C=C1\CC(CC)N(C)C=N1.
What is the InChIKey of (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
The InChIKey is BUGDTECXTSVUML-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-9-7-10(5-2)12(3)8-11-9/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+.
What are the key properties of (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine?
(6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine is sourced from PubChem (CID 163468019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).