4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane

C11H18N2O — CID 142610528

IUPAC4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane
SMILESC/C=C\c1c(C)nc[nH]c1=O.CCC
InChIInChI=1S/C8H10N2O.C3H8/c1-3-4-7-6(2)9-5-10-8(7)11;1-3-2/h3-5H,1-2H3,(H,9,10,11);3H2,1-2H3/b4-3-;
InChIKeyZECCNETVNIFCDP-LNKPDPKZSA-N
MW194.28 g/mol
LogP2.53
Rot. Bonds1

About 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane

4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane (PubChem CID 142610528) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane.

Molecular Properties

Compound Name4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane
PubChem CID142610528
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane
SMILESC/C=C\c1c(C)nc[nH]c1=O.CCC
InChIInChI=1S/C8H10N2O.C3H8/c1-3-4-7-6(2)9-5-10-8(7)11;1-3-2/h3-5H,1-2H3,(H,9,10,11);3H2,1-2H3/b4-3-;
InChIKeyZECCNETVNIFCDP-LNKPDPKZSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane?
The IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane (CID 142610528) is 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane.
What is the SMILES notation for 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane?
The canonical SMILES for 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane is C/C=C\c1c(C)nc[nH]c1=O.CCC.
What is the InChIKey of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane?
The InChIKey is ZECCNETVNIFCDP-LNKPDPKZSA-N. The full InChI is InChI=1S/C8H10N2O.C3H8/c1-3-4-7-6(2)9-5-10-8(7)11;1-3-2/h3-5H,1-2H3,(H,9,10,11);3H2,1-2H3/b4-3-;.
What are the key properties of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane?
4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane has a molecular weight of 194.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane is sourced from PubChem (CID 142610528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).