N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine

C14H24N6 — CID 23154879

IUPACN-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine
SMILESCN1C=CCN(C)/C1=N/CC/N=C1\N(C)C=CCN1C
InChIInChI=1S/C14H24N6/c1-17-9-5-10-18(2)13(17)15-7-8-16-14-19(3)11-6-12-20(14)4/h5-6,9,11H,7-8,10,12H2,1-4H3/b15-13+,16-14+
InChIKeyZTHIYPVFBOABPK-WXUKJITCSA-N
MW276.39 g/mol
LogP0.48
Rot. Bonds3

About N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine

N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine (PubChem CID 23154879) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine.

Molecular Properties

Compound NameN-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine
PubChem CID23154879
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine
SMILESCN1C=CCN(C)/C1=N/CC/N=C1\N(C)C=CCN1C
InChIInChI=1S/C14H24N6/c1-17-9-5-10-18(2)13(17)15-7-8-16-14-19(3)11-6-12-20(14)4/h5-6,9,11H,7-8,10,12H2,1-4H3/b15-13+,16-14+
InChIKeyZTHIYPVFBOABPK-WXUKJITCSA-N
XLogP0.48
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
The IUPAC name of N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine (CID 23154879) is N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine.
What is the SMILES notation for N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
The canonical SMILES for N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine is CN1C=CCN(C)/C1=N/CC/N=C1\N(C)C=CCN1C.
What is the InChIKey of N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
The InChIKey is ZTHIYPVFBOABPK-WXUKJITCSA-N. The full InChI is InChI=1S/C14H24N6/c1-17-9-5-10-18(2)13(17)15-7-8-16-14-19(3)11-6-12-20(14)4/h5-6,9,11H,7-8,10,12H2,1-4H3/b15-13+,16-14+.
What are the key properties of N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine has a molecular weight of 276.39 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine is sourced from PubChem (CID 23154879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).