6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate

C8H11N2O- — CID 163920798

IUPAC6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate
SMILESC/C=C\C1=C(C)NC([O-])=NC1
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-9-8(11)10-6(7)2/h3-4H,5H2,1-2H3,(H2,9,10,11)/p-1/b4-3-
InChIKeyRAGAMAYUEBCNMI-ARJAWSKDSA-M
MW151.19 g/mol
LogP0.16
Rot. Bonds1

About 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate

6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate (PubChem CID 163920798) has the molecular formula C8H11N2O- and a molecular weight of 151.19 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate.

Molecular Properties

Compound Name6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate
PubChem CID163920798
Molecular FormulaC8H11N2O-
Molecular Weight151.19 g/mol
Exact Mass151.09
IUPAC Name6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate
SMILESC/C=C\C1=C(C)NC([O-])=NC1
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-9-8(11)10-6(7)2/h3-4H,5H2,1-2H3,(H2,9,10,11)/p-1/b4-3-
InChIKeyRAGAMAYUEBCNMI-ARJAWSKDSA-M
XLogP0.16
TPSA47.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
CID 123501736
CID 123501736
2-chloro-5-ethyl-6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 123733809
2-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]guanidine
CID 142083489
4,7-dihydro-1H-cyclohepta[d]pyrimidine
CID 142271075

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate?
The IUPAC name of 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate (CID 163920798) is 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate.
What is the SMILES notation for 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate?
The canonical SMILES for 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate is C/C=C\C1=C(C)NC([O-])=NC1.
What is the InChIKey of 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate?
The InChIKey is RAGAMAYUEBCNMI-ARJAWSKDSA-M. The full InChI is InChI=1S/C8H12N2O/c1-3-4-7-5-9-8(11)10-6(7)2/h3-4H,5H2,1-2H3,(H2,9,10,11)/p-1/b4-3-.
What are the key properties of 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate?
6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate has a molecular weight of 151.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-2-olate is sourced from PubChem (CID 163920798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).