6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine

C10H16N2 — CID 18740826

IUPAC6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine
SMILESCC=C(C)C1=CCN=C(C)N1C
InChIInChI=1S/C10H16N2/c1-5-8(2)10-6-7-11-9(3)12(10)4/h5-6H,7H2,1-4H3
InChIKeyNCTFXQCNTGEVBT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds1

About 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine

6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine (PubChem CID 18740826) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine
PubChem CID18740826
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine
SMILESCC=C(C)C1=CCN=C(C)N1C
InChIInChI=1S/C10H16N2/c1-5-8(2)10-6-7-11-9(3)12(10)4/h5-6H,7H2,1-4H3
InChIKeyNCTFXQCNTGEVBT-UHFFFAOYSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
CID 146359507
4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
lithium N,N,2,4-tetramethyl-3H-pyridin-3-id-6-amine
CID 134971132
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
N,N-diethyl-5,6-dimethyl-3H-azepin-2-amine
CID 172418770
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011
1,2,4,5-Tetramethyl-6-methylidenepyrimidine
CID 53867761
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
3,4,8,9-Tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
CID 54528064

Frequently Asked Questions

What is the IUPAC name of 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine?
The IUPAC name of 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine (CID 18740826) is 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine.
What is the SMILES notation for 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine?
The canonical SMILES for 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine is CC=C(C)C1=CCN=C(C)N1C.
What is the InChIKey of 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine?
The InChIKey is NCTFXQCNTGEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-8(2)10-6-7-11-9(3)12(10)4/h5-6H,7H2,1-4H3.
What are the key properties of 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine?
6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine is sourced from PubChem (CID 18740826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).