N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

C15H22N6O2 — CID 166233772

IUPACN,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)nc(NCCN(C)c2nc(C)cc(OC)n2)n1
InChIInChI=1S/C15H22N6O2/c1-10-8-12(22-4)19-14(17-10)16-6-7-21(3)15-18-11(2)9-13(20-15)23-5/h8-9H,6-7H2,1-5H3,(H,16,17,19)
InChIKeyVRRUIEFMRGKSEN-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.45
Rot. Bonds7

About N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 166233772) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID166233772
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)nc(NCCN(C)c2nc(C)cc(OC)n2)n1
InChIInChI=1S/C15H22N6O2/c1-10-8-12(22-4)19-14(17-10)16-6-7-21(3)15-18-11(2)9-13(20-15)23-5/h8-9H,6-7H2,1-5H3,(H,16,17,19)
InChIKeyVRRUIEFMRGKSEN-UHFFFAOYSA-N
XLogP1.45
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 166233772) is N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is COc1cc(C)nc(NCCN(C)c2nc(C)cc(OC)n2)n1.
What is the InChIKey of N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is VRRUIEFMRGKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10-8-12(22-4)19-14(17-10)16-6-7-21(3)15-18-11(2)9-13(20-15)23-5/h8-9H,6-7H2,1-5H3,(H,16,17,19).
What are the key properties of N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 318.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 166233772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).