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

C15H26N6 — CID 23154848

IUPACN-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine
SMILESCN1C=CCN(C)/C1=N/CCC/N=C1/N(C)C=CCN1C
InChIInChI=1S/C15H26N6/c1-18-10-6-11-19(2)14(18)16-8-5-9-17-15-20(3)12-7-13-21(15)4/h6-7,10,12H,5,8-9,11,13H2,1-4H3/b16-14-,17-15+
InChIKeySTDUUHHDWPXAER-QUDUTFMFSA-N
MW290.42 g/mol
LogP0.87
Rot. Bonds4

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

N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine (PubChem CID 23154848) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine.

Molecular Properties

Compound NameN-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine
PubChem CID23154848
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC NameN-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine
SMILESCN1C=CCN(C)/C1=N/CCC/N=C1/N(C)C=CCN1C
InChIInChI=1S/C15H26N6/c1-18-10-6-11-19(2)14(18)16-8-5-9-17-15-20(3)12-7-13-21(15)4/h6-7,10,12H,5,8-9,11,13H2,1-4H3/b16-14-,17-15+
InChIKeySTDUUHHDWPXAER-QUDUTFMFSA-N
XLogP0.87
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 50.87
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-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
The IUPAC name of N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine (CID 23154848) is N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine.
What is the SMILES notation for N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
The canonical SMILES for N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine is CN1C=CCN(C)/C1=N/CCC/N=C1/N(C)C=CCN1C.
What is the InChIKey of N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
The InChIKey is STDUUHHDWPXAER-QUDUTFMFSA-N. The full InChI is InChI=1S/C15H26N6/c1-18-10-6-11-19(2)14(18)16-8-5-9-17-15-20(3)12-7-13-21(15)4/h6-7,10,12H,5,8-9,11,13H2,1-4H3/b16-14-,17-15+.
What are the key properties of N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine?
N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine has a molecular weight of 290.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine is sourced from PubChem (CID 23154848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).