6-prop-1-en-2-yl-4,5-dihydropyrimidine

C7H10N2 — CID 155049734

IUPAC6-prop-1-en-2-yl-4,5-dihydropyrimidine
SMILESC=C(C)C1=NC=NCC1
InChIInChI=1S/C7H10N2/c1-6(2)7-3-4-8-5-9-7/h5H,1,3-4H2,2H3
InChIKeyNTHZNEVZYVYFFI-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.44
Rot. Bonds1

About 6-prop-1-en-2-yl-4,5-dihydropyrimidine

6-prop-1-en-2-yl-4,5-dihydropyrimidine (PubChem CID 155049734) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-prop-1-en-2-yl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name6-prop-1-en-2-yl-4,5-dihydropyrimidine
PubChem CID155049734
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name6-prop-1-en-2-yl-4,5-dihydropyrimidine
SMILESC=C(C)C1=NC=NCC1
InChIInChI=1S/C7H10N2/c1-6(2)7-3-4-8-5-9-7/h5H,1,3-4H2,2H3
InChIKeyNTHZNEVZYVYFFI-UHFFFAOYSA-N
XLogP1.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine
CID 166907521
2,6-dimethyl-5-methylidene-4H-pyrimidine
CID 91080340
6-methyl-5-methylidene-3,4-dihydro-2H-pyridine
CID 123542747
6-methyl-5-methylidene-4H-pyrimidine
CID 130455690
N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218580
N'-methyl-N-(2-methylpent-1-en-3-ylidene)methanimidamide
CID 148424294

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-en-2-yl-4,5-dihydropyrimidine?
The IUPAC name of 6-prop-1-en-2-yl-4,5-dihydropyrimidine (CID 155049734) is 6-prop-1-en-2-yl-4,5-dihydropyrimidine.
What is the SMILES notation for 6-prop-1-en-2-yl-4,5-dihydropyrimidine?
The canonical SMILES for 6-prop-1-en-2-yl-4,5-dihydropyrimidine is C=C(C)C1=NC=NCC1.
What is the InChIKey of 6-prop-1-en-2-yl-4,5-dihydropyrimidine?
The InChIKey is NTHZNEVZYVYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6(2)7-3-4-8-5-9-7/h5H,1,3-4H2,2H3.
What are the key properties of 6-prop-1-en-2-yl-4,5-dihydropyrimidine?
6-prop-1-en-2-yl-4,5-dihydropyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-yl-4,5-dihydropyrimidine is sourced from PubChem (CID 155049734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).