5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine

C9H12N2 — CID 87085174

IUPAC5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine
SMILESC=C1N=CC(C)=CN1/C=C\C
InChIInChI=1S/C9H12N2/c1-4-5-11-7-8(2)6-10-9(11)3/h4-7H,3H2,1-2H3/b5-4-
InChIKeyXZZIUKVJLHTLIF-PLNGDYQASA-N
MW148.21 g/mol
LogP2.28
Rot. Bonds1

About 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine

5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine (PubChem CID 87085174) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine
PubChem CID87085174
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine
SMILESC=C1N=CC(C)=CN1/C=C\C
InChIInChI=1S/C9H12N2/c1-4-5-11-7-8(2)6-10-9(11)3/h4-7H,3H2,1-2H3/b5-4-
InChIKeyXZZIUKVJLHTLIF-PLNGDYQASA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The IUPAC name of 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine (CID 87085174) is 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine.
What is the SMILES notation for 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The canonical SMILES for 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine is C=C1N=CC(C)=CN1/C=C\C.
What is the InChIKey of 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine?
The InChIKey is XZZIUKVJLHTLIF-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-11-7-8(2)6-10-9(11)3/h4-7H,3H2,1-2H3/b5-4-.
What are the key properties of 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine?
5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine has a molecular weight of 148.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 87085174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).