N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine

C6H7N3 — CID 88986356

IUPACN-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine
SMILESC=N/C=C1/C=CN=CN1
InChIInChI=1S/C6H7N3/c1-7-4-6-2-3-8-5-9-6/h2-5H,1H2,(H,8,9)/b6-4-
InChIKeyXAQARDHAGPMWFI-XQRVVYSFSA-N
MW121.14 g/mol
LogP0.67
Rot. Bonds1

About N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine

N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine (PubChem CID 88986356) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine
PubChem CID88986356
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC NameN-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine
SMILESC=N/C=C1/C=CN=CN1
InChIInChI=1S/C6H7N3/c1-7-4-6-2-3-8-5-9-6/h2-5H,1H2,(H,8,9)/b6-4-
InChIKeyXAQARDHAGPMWFI-XQRVVYSFSA-N
XLogP0.67
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Dihydropyrimidine
CID 5248048
4-Methylene-pyrimidine
CID 45080137
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
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine?
The IUPAC name of N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine (CID 88986356) is N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine.
What is the SMILES notation for N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine?
The canonical SMILES for N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine is C=N/C=C1/C=CN=CN1.
What is the InChIKey of N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine?
The InChIKey is XAQARDHAGPMWFI-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H7N3/c1-7-4-6-2-3-8-5-9-6/h2-5H,1H2,(H,8,9)/b6-4-.
What are the key properties of N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine?
N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine has a molecular weight of 121.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine is sourced from PubChem (CID 88986356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).