6-methylidene-1H-pyrimidine

C5H6N2 — CID 45080137

IUPAC6-methylidene-1H-pyrimidine
SMILESC=C1C=CN=CN1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H2,(H,6,7)
InChIKeyYHWRMWNJGCNHQN-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.65
Rot. Bonds

About 6-methylidene-1H-pyrimidine

6-methylidene-1H-pyrimidine (PubChem CID 45080137) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 6-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name6-methylidene-1H-pyrimidine
PubChem CID45080137
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name6-methylidene-1H-pyrimidine
SMILESC=C1C=CN=CN1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H2,(H,6,7)
InChIKeyYHWRMWNJGCNHQN-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

1,4-Dihydropyrimidine
CID 5248048
6-Methyl-1,4-dihydropyrimidine
CID 19748724
3a,4-dihydro-1H-imidazo[4,5-b]pyridine
CID 19867707
1,4-Dihydropyrimidin-3-ium
CID 23116147
6-methylidene-1H-pyrimidin-2-amine
CID 45080123
1,4-Dihydropyrimidin-4-amine
CID 55281263
CID 57456851
CID 57456851
4-Methylidenepyrimidin-1-ide
CID 58399096
7-Methylidene-1,4-dihydro-1,3-diazepine
CID 59437890
2H-pyrazino[1,2-c]pyrimidine
CID 69864342
N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine
CID 88986356
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1H-pyrimidine?
The IUPAC name of 6-methylidene-1H-pyrimidine (CID 45080137) is 6-methylidene-1H-pyrimidine.
What is the SMILES notation for 6-methylidene-1H-pyrimidine?
The canonical SMILES for 6-methylidene-1H-pyrimidine is C=C1C=CN=CN1.
What is the InChIKey of 6-methylidene-1H-pyrimidine?
The InChIKey is YHWRMWNJGCNHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H2,(H,6,7).
What are the key properties of 6-methylidene-1H-pyrimidine?
6-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 6-methylidene-1H-pyrimidine is sourced from PubChem (CID 45080137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).