1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine

C14H20N4O — CID 55109777

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nccc(CNCC(c2ccco2)N(C)C)n1
InChIInChI=1S/C14H20N4O/c1-11-16-7-6-12(17-11)9-15-10-13(18(2)3)14-5-4-8-19-14/h4-8,13,15H,9-10H2,1-3H3
InChIKeyKUPYASMHAXGJHG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds6

About 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 55109777) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID55109777
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nccc(CNCC(c2ccco2)N(C)C)n1
InChIInChI=1S/C14H20N4O/c1-11-16-7-6-12(17-11)9-15-10-13(18(2)3)14-5-4-8-19-14/h4-8,13,15H,9-10H2,1-3H3
InChIKeyKUPYASMHAXGJHG-UHFFFAOYSA-N
XLogP1.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Triazine-4-carboxamide, 10
CID 44520935
N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
4-(2-furyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 1481666
1-[4-(2-furyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
CID 1481670
4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 14347092
4-(2-furanyl)-N-[3-(1H-imidazol-1-yl)phenyl]-2-pyrimidinamine
CID 14347116
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[(2-furanyl)methyl]-2-piperidineacetamide
CID 16115467
5-chloro-4-N-(furan-2-ylmethyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665848
N-[(Furan-2-yl)methyl]pyridin-2-amine
CID 252569
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234243
N-cyclohexyl-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine
CID 3497769
N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 5061160

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine (CID 55109777) is 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine is Cc1nccc(CNCC(c2ccco2)N(C)C)n1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is KUPYASMHAXGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-16-7-6-12(17-11)9-15-10-13(18(2)3)14-5-4-8-19-14/h4-8,13,15H,9-10H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55109777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).