(1,4,6-trimethylpyrimidin-2-ylidene)cyanamide

C8H10N4 — CID 13004273

IUPAC(1,4,6-trimethylpyrimidin-2-ylidene)cyanamide
SMILESCc1cc(C)n(C)/c(=N/C#N)n1
InChIInChI=1S/C8H10N4/c1-6-4-7(2)12(3)8(11-6)10-5-9/h4H,1-3H3/b10-8+
InChIKeyCSSZQFLJFMRKLR-CSKARUKUSA-N
MW162.20 g/mol
LogP0.42
Rot. Bonds

About (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide

(1,4,6-trimethylpyrimidin-2-ylidene)cyanamide (PubChem CID 13004273) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(1,4,6-trimethylpyrimidin-2-ylidene)cyanamide
PubChem CID13004273
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name(1,4,6-trimethylpyrimidin-2-ylidene)cyanamide
SMILESCc1cc(C)n(C)/c(=N/C#N)n1
InChIInChI=1S/C8H10N4/c1-6-4-7(2)12(3)8(11-6)10-5-9/h4H,1-3H3/b10-8+
InChIKeyCSSZQFLJFMRKLR-CSKARUKUSA-N
XLogP0.42
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide?
The IUPAC name of (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide (CID 13004273) is (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide.
What is the SMILES notation for (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide?
The canonical SMILES for (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide is Cc1cc(C)n(C)/c(=N/C#N)n1.
What is the InChIKey of (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide?
The InChIKey is CSSZQFLJFMRKLR-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10N4/c1-6-4-7(2)12(3)8(11-6)10-5-9/h4H,1-3H3/b10-8+.
What are the key properties of (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide?
(1,4,6-trimethylpyrimidin-2-ylidene)cyanamide has a molecular weight of 162.20 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,6-trimethylpyrimidin-2-ylidene)cyanamide is sourced from PubChem (CID 13004273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).