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

C17H31N7 — CID 23154838

IUPAC2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine
SMILESCN(CC/N=C1\N(C)C=CCN1C)CC/N=C1/N(C)C=CCN1C
InChIInChI=1S/C17H31N7/c1-20(14-8-18-16-21(2)10-6-11-22(16)3)15-9-19-17-23(4)12-7-13-24(17)5/h6-7,10,12H,8-9,11,13-15H2,1-5H3/b18-16-,19-17+
InChIKeyWLGGJCSJPVWGKS-JQNBNMKOSA-N
MW333.48 g/mol
LogP0.41
Rot. Bonds6

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

2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine (PubChem CID 23154838) has the molecular formula C17H31N7 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine
PubChem CID23154838
Molecular FormulaC17H31N7
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC Name2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine
SMILESCN(CC/N=C1\N(C)C=CCN1C)CC/N=C1/N(C)C=CCN1C
InChIInChI=1S/C17H31N7/c1-20(14-8-18-16-21(2)10-6-11-22(16)3)15-9-19-17-23(4)12-7-13-24(17)5/h6-7,10,12H,8-9,11,13-15H2,1-5H3/b18-16-,19-17+
InChIKeyWLGGJCSJPVWGKS-JQNBNMKOSA-N
XLogP0.41
TPSA40.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine?
The IUPAC name of 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine (CID 23154838) is 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine.
What is the SMILES notation for 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine?
The canonical SMILES for 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine is CN(CC/N=C1\N(C)C=CCN1C)CC/N=C1/N(C)C=CCN1C.
What is the InChIKey of 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine?
The InChIKey is WLGGJCSJPVWGKS-JQNBNMKOSA-N. The full InChI is InChI=1S/C17H31N7/c1-20(14-8-18-16-21(2)10-6-11-22(16)3)15-9-19-17-23(4)12-7-13-24(17)5/h6-7,10,12H,8-9,11,13-15H2,1-5H3/b18-16-,19-17+.
What are the key properties of 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine?
2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine has a molecular weight of 333.48 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine is sourced from PubChem (CID 23154838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).