2-methylidene-1H-pyrimidine

C5H6N2 — CID 21458438

IUPAC2-methylidene-1H-pyrimidine
SMILESC=C1N=CC=CN1
InChIInChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4,6H,1H2
InChIKeyKJOJQGJAIBTBHR-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.65
Rot. Bonds

About 2-methylidene-1H-pyrimidine

2-methylidene-1H-pyrimidine (PubChem CID 21458438) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 2-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name2-methylidene-1H-pyrimidine
PubChem CID21458438
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name2-methylidene-1H-pyrimidine
SMILESC=C1N=CC=CN1
InChIInChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4,6H,1H2
InChIKeyKJOJQGJAIBTBHR-UHFFFAOYSA-N
XLogP0.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Mercaptopyrimidine
CID 1550489
2(1H)-Pyrimidinone
CID 68401
2(1H)-Pyrimidinone, hydrochloride (1:1)
CID 122774
2-Pyrimidinethiol hydrochloride
CID 12216433
1H-1,4-Diazepine
CID 12312963
5-Fluorodihydropyrimidine
CID 19045925
3-Mercaptopyrimidine
CID 20462918
1H-pyrimidin-3-ium-2-thione chloride
CID 139196864
Dihydropyrimidine
CID 1056
Dihydropyrimidinamin
CID 5231612
2-Dihydro-2-thiopyrimidine
CID 5242133
Dihydropyrimidinecarbonitrile
CID 17882608

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1H-pyrimidine?
The IUPAC name of 2-methylidene-1H-pyrimidine (CID 21458438) is 2-methylidene-1H-pyrimidine.
What is the SMILES notation for 2-methylidene-1H-pyrimidine?
The canonical SMILES for 2-methylidene-1H-pyrimidine is C=C1N=CC=CN1.
What is the InChIKey of 2-methylidene-1H-pyrimidine?
The InChIKey is KJOJQGJAIBTBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4,6H,1H2.
What are the key properties of 2-methylidene-1H-pyrimidine?
2-methylidene-1H-pyrimidine has a molecular weight of 94.12 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1H-pyrimidine is sourced from PubChem (CID 21458438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).