6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine

C9H16N2 — CID 22756056

IUPAC6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESC=C(C)C1=NCCC(CC)N1
InChIInChI=1S/C9H16N2/c1-4-8-5-6-10-9(11-8)7(2)3/h8H,2,4-6H2,1,3H3,(H,10,11)
InChIKeyPXQZBFJUHPEMKR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds2

About 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine

6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine (PubChem CID 22756056) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
PubChem CID22756056
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESC=C(C)C1=NCCC(CC)N1
InChIInChI=1S/C9H16N2/c1-4-8-5-6-10-9(11-8)7(2)3/h8H,2,4-6H2,1,3H3,(H,10,11)
InChIKeyPXQZBFJUHPEMKR-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
CID 88596857
2-methyl-N,N'-di(propan-2-yl)prop-2-enimidamide
CID 88832844
(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
CID 118972865
N',2-dimethyl-N-propylprop-2-enimidamide
CID 118973463
N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide
CID 143008022
2-methyl-N,N'-dipropylprop-2-enimidamide
CID 149152627
(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide
CID 155572681
N-tert-butyl-N'-cyclohexyl-2-methylprop-2-enimidamide
CID 434030
2,6-Bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine
CID 22756052
4-Ethenyl-6-methyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 54199323
N-(3-methylbut-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 106188444
N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 114616706

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine (CID 22756056) is 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine is C=C(C)C1=NCCC(CC)N1.
What is the InChIKey of 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is PXQZBFJUHPEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8-5-6-10-9(11-8)7(2)3/h8H,2,4-6H2,1,3H3,(H,10,11).
What are the key properties of 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine?
6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 22756056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).