2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine

C8H12N2 — CID 138509396

IUPAC2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
SMILESC/C=C\C1=CNC(C)=NC1
InChIInChI=1S/C8H12N2/c1-3-4-8-5-9-7(2)10-6-8/h3-5H,6H2,1-2H3,(H,9,10)/b4-3-
InChIKeyXWIFCCPRYNIXRC-ARJAWSKDSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds1

About 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine

2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine (PubChem CID 138509396) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
PubChem CID138509396
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
SMILESC/C=C\C1=CNC(C)=NC1
InChIInChI=1S/C8H12N2/c1-3-4-8-5-9-7(2)10-6-8/h3-5H,6H2,1-2H3,(H,9,10)/b4-3-
InChIKeyXWIFCCPRYNIXRC-ARJAWSKDSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
The IUPAC name of 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine (CID 138509396) is 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
The canonical SMILES for 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine is C/C=C\C1=CNC(C)=NC1.
What is the InChIKey of 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
The InChIKey is XWIFCCPRYNIXRC-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-8-5-9-7(2)10-6-8/h3-5H,6H2,1-2H3,(H,9,10)/b4-3-.
What are the key properties of 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine?
2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 138509396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).