2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine

C8H14N2 — CID 143378164

IUPAC2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine
SMILESC/C=C/CC1=NCCCN1
InChIInChI=1S/C8H14N2/c1-2-3-5-8-9-6-4-7-10-8/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+
InChIKeyNJUMPFKBRSBFPO-NSCUHMNNSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds2

About 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine

2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 143378164) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID143378164
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine
SMILESC/C=C/CC1=NCCCN1
InChIInChI=1S/C8H14N2/c1-2-3-5-8-9-6-4-7-10-8/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+
InChIKeyNJUMPFKBRSBFPO-NSCUHMNNSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 163981498
Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
N-pentyl-2,3-dihydropyridin-6-amine
CID 67716703
2-Prop-2-enyl-1,4,5,6-tetrahydropyrimidine
CID 69999765
(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide
CID 89493049
2-[(Z)-but-1-enyl]-1,4,5,6-tetrahydropyrimidine
CID 89851124
2-pent-2-enyl-4,5-dihydro-1H-imidazole
CID 90193128
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine (CID 143378164) is 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine is C/C=C/CC1=NCCCN1.
What is the InChIKey of 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is NJUMPFKBRSBFPO-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-5-8-9-6-4-7-10-8/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine?
2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 143378164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).