ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one

C14H22N2O — CID 172602026

IUPACethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1c(/C=C\C)ncn(C(C)C)c1=O.CC
InChIInChI=1S/C12H16N2O.C2H6/c1-5-7-11-10(6-2)12(15)14(8-13-11)9(3)4;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyFASLGUOVFFFBJM-YJOCEBFMSA-N
MW234.34 g/mol
LogP3.53
Rot. Bonds3

About ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one

ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one (PubChem CID 172602026) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one
PubChem CID172602026
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Nameethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1c(/C=C\C)ncn(C(C)C)c1=O.CC
InChIInChI=1S/C12H16N2O.C2H6/c1-5-7-11-10(6-2)12(15)14(8-13-11)9(3)4;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyFASLGUOVFFFBJM-YJOCEBFMSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one?
The IUPAC name of ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one (CID 172602026) is ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one.
What is the SMILES notation for ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one?
The canonical SMILES for ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one is C=Cc1c(/C=C\C)ncn(C(C)C)c1=O.CC.
What is the InChIKey of ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one?
The InChIKey is FASLGUOVFFFBJM-YJOCEBFMSA-N. The full InChI is InChI=1S/C12H16N2O.C2H6/c1-5-7-11-10(6-2)12(15)14(8-13-11)9(3)4;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b7-5-;.
What are the key properties of ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one?
ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-3-propan-2-yl-6-[(Z)-prop-1-enyl]pyrimidin-4-one is sourced from PubChem (CID 172602026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).