N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

C13H18N4O — CID 116977334

IUPACN,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C13H18N4O/c1-10-4-5-12(18-10)11-8-15-13(16-9-11)17(3)7-6-14-2/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyWORUUKJHGICEBA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.70
Rot. Bonds5

About N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 116977334) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID116977334
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1ncc(-c2ccc(C)o2)cn1
InChIInChI=1S/C13H18N4O/c1-10-4-5-12(18-10)11-8-15-13(16-9-11)17(3)7-6-14-2/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyWORUUKJHGICEBA-UHFFFAOYSA-N
XLogP1.70
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493
N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 116977474
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
CID 116975077
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propanenitrile
CID 116975727
1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974564
2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974395
1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
CID 116975894
N'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 104606129
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N-methyl-6-(5-methylfuran-2-yl)isoquinolin-3-amine
CID 142563003
N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
CID 83065040
N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 63206209

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 116977334) is N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is CNCCN(C)c1ncc(-c2ccc(C)o2)cn1.
What is the InChIKey of N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is WORUUKJHGICEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-4-5-12(18-10)11-8-15-13(16-9-11)17(3)7-6-14-2/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 116977334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).