5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine

C9H14N2 — CID 59890253

IUPAC5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine
SMILESCC=C(C)C1=CNC(C)=NC1
InChIInChI=1S/C9H14N2/c1-4-7(2)9-5-10-8(3)11-6-9/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyXDOYEQSNGBSKOZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds1

About 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine

5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine (PubChem CID 59890253) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine
PubChem CID59890253
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine
SMILESCC=C(C)C1=CNC(C)=NC1
InChIInChI=1S/C9H14N2/c1-4-7(2)9-5-10-8(3)11-6-9/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyXDOYEQSNGBSKOZ-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 90784051
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
CID 91616301
N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
CID 123457912
N-ethenyl-N'-[(1Z,3E)-2-ethyl-3-methylhexa-1,3,5-trienyl]ethanimidamide
CID 132170857
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
N,3,6-trimethyl-1,3-dihydroazepin-2-imine
CID 137084627
2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 138509396
ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine
CID 142947862
5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine
CID 143436370
(2Z)-N,N',4-trimethylpenta-2,4-dienimidamide
CID 143743862
(3Z)-N,4-dimethyl-3-propylidene-1H-pyrrol-2-imine;ethane
CID 144116944
(3Z)-N,4-dimethyl-3-propylidene-1H-pyrrol-2-imine
CID 144116945

Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine?
The IUPAC name of 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine (CID 59890253) is 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine is CC=C(C)C1=CNC(C)=NC1.
What is the InChIKey of 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine?
The InChIKey is XDOYEQSNGBSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-7(2)9-5-10-8(3)11-6-9/h4-5H,6H2,1-3H3,(H,10,11).
What are the key properties of 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine?
5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-2-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 59890253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).