5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine

C13H22N2 — CID 139473952

IUPAC5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine
SMILESCC/C(C)=C\C1=NCNC(C(C)C)=C1C
InChIInChI=1S/C13H22N2/c1-6-10(4)7-12-11(5)13(9(2)3)15-8-14-12/h7,9,15H,6,8H2,1-5H3/b10-7-
InChIKeyXBSWKUHGCRRYOB-YFHOEESVSA-N
MW206.33 g/mol
LogP3.27
Rot. Bonds3

About 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine

5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine (PubChem CID 139473952) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine
PubChem CID139473952
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine
SMILESCC/C(C)=C\C1=NCNC(C(C)C)=C1C
InChIInChI=1S/C13H22N2/c1-6-10(4)7-12-11(5)13(9(2)3)15-8-14-12/h7,9,15H,6,8H2,1-5H3/b10-7-
InChIKeyXBSWKUHGCRRYOB-YFHOEESVSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine?
The IUPAC name of 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine (CID 139473952) is 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine.
What is the SMILES notation for 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine?
The canonical SMILES for 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine is CC/C(C)=C\C1=NCNC(C(C)C)=C1C.
What is the InChIKey of 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine?
The InChIKey is XBSWKUHGCRRYOB-YFHOEESVSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-10(4)7-12-11(5)13(9(2)3)15-8-14-12/h7,9,15H,6,8H2,1-5H3/b10-7-.
What are the key properties of 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine?
5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine has a molecular weight of 206.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-2-methylbut-1-enyl]-6-propan-2-yl-1,2-dihydropyrimidine is sourced from PubChem (CID 139473952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).