4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane

C12H19ClN2 — CID 168914368

IUPAC4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane
SMILESCC.CC/C=C(/C)c1c(C)ncnc1Cl
InChIInChI=1S/C10H13ClN2.C2H6/c1-4-5-7(2)9-8(3)12-6-13-10(9)11;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-5-;
InChIKeySOBVEUIBPLEHDI-YJOCEBFMSA-N
MW226.75 g/mol
LogP4.28
Rot. Bonds2

About 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane

4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane (PubChem CID 168914368) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane
PubChem CID168914368
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane
SMILESCC.CC/C=C(/C)c1c(C)ncnc1Cl
InChIInChI=1S/C10H13ClN2.C2H6/c1-4-5-7(2)9-8(3)12-6-13-10(9)11;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-5-;
InChIKeySOBVEUIBPLEHDI-YJOCEBFMSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane?
The IUPAC name of 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane (CID 168914368) is 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane.
What is the SMILES notation for 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane?
The canonical SMILES for 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane is CC.CC/C=C(/C)c1c(C)ncnc1Cl.
What is the InChIKey of 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane?
The InChIKey is SOBVEUIBPLEHDI-YJOCEBFMSA-N. The full InChI is InChI=1S/C10H13ClN2.C2H6/c1-4-5-7(2)9-8(3)12-6-13-10(9)11;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-5-;.
What are the key properties of 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane?
4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane has a molecular weight of 226.75 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-[(Z)-pent-2-en-2-yl]pyrimidine;ethane is sourced from PubChem (CID 168914368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).