ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine

C9H18N2 — CID 143547335

IUPACethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
SMILESC=C(C)N1C=NCCC1.CC
InChIInChI=1S/C7H12N2.C2H6/c1-7(2)9-5-3-4-8-6-9;1-2/h6H,1,3-5H2,2H3;1-2H3
InChIKeyADEUZFPUDYXZMS-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds1

About ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine

ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine (PubChem CID 143547335) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Nameethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
PubChem CID143547335
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
SMILESC=C(C)N1C=NCCC1.CC
InChIInChI=1S/C7H12N2.C2H6/c1-7(2)9-5-3-4-8-6-9;1-2/h6H,1,3-5H2,2H3;1-2H3
InChIKeyADEUZFPUDYXZMS-UHFFFAOYSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 57036492
1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
CID 70349310
1-Methyl-6-methylidene-4,5-dihydropyrimidine
CID 91610482
But-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
CID 123840682
[Buta-1,3-dien-2-yl(propyl)amino]methylidene-dimethylazanium
CID 124034455
N'-(2,2-dimethylpropyl)-N-methyl-N-prop-1-en-2-ylmethanimidamide
CID 132077455
N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 138751746
N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide
CID 139418893
1,6-dimethyl-4H-pyrimidine;ethane
CID 142350108
N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 143378955
ethane;N'-methyl-N-prop-1-en-2-yl-N-propylmethanimidamide
CID 144135291
N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
CID 146389581

Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine (CID 143547335) is ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine is C=C(C)N1C=NCCC1.CC.
What is the InChIKey of ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine?
The InChIKey is ADEUZFPUDYXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-7(2)9-5-3-4-8-6-9;1-2/h6H,1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine?
ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine has a molecular weight of 154.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 143547335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).