ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine

C11H18N2 — CID 143195775

IUPACethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine
SMILESC=CC1=NC=CCN1/C=C\C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-7-11-8-5-6-10-9(11)4-2;1-2/h3-7H,2,8H2,1H3;1-2H3/b7-3-;
InChIKeyMPOGHXKLMMQKHN-WYLUAFJRSA-N
MW178.28 g/mol
LogP2.96
Rot. Bonds2

About ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine

ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine (PubChem CID 143195775) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine.

Molecular Properties

Compound Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine
PubChem CID143195775
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine
SMILESC=CC1=NC=CCN1/C=C\C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-7-11-8-5-6-10-9(11)4-2;1-2/h3-7H,2,8H2,1H3;1-2H3/b7-3-;
InChIKeyMPOGHXKLMMQKHN-WYLUAFJRSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimidine, 1-allyl-1,2-dihydro-2-propylimino-
CID 171384509
Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-methylimino-
CID 171384672
Pyrido[1,2-a]pyrimidine
CID 20094215
2,3-Dimethylpyrimidin-4-imine
CID 13925309
4-Ethylimidazo[1,2-a]pyridin-4-ium
CID 18001023
1,2-Bis(ethenyl)-1-methylimidazol-1-ium
CID 20040771
N,1-di(propan-2-yl)pyridin-2-imine
CID 20601372
1,3-diethyl-4H-pyrimidin-3-ium
CID 23148547
1,3-dipropyl-4H-pyrimidin-3-ium
CID 23148585
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
Pyrantel Embonate Impurity I
CID 54555363
N,N-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine
CID 58337014

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine?
The IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine (CID 143195775) is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine.
What is the SMILES notation for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine?
The canonical SMILES for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine is C=CC1=NC=CCN1/C=C\C.CC.
What is the InChIKey of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine?
The InChIKey is MPOGHXKLMMQKHN-WYLUAFJRSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-3-7-11-8-5-6-10-9(11)4-2;1-2/h3-7H,2,8H2,1H3;1-2H3/b7-3-;.
What are the key properties of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine?
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine is sourced from PubChem (CID 143195775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).