5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

C13H18N4O — CID 80780940

IUPAC5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)Cc1ccco1
InChIInChI=1S/C13H18N4O/c1-4-11-12(14-2)15-9-16-13(11)17(3)8-10-6-5-7-18-10/h5-7,9H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyZOEDYYFRRMOJHD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.31
Rot. Bonds5

About 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80780940) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80780940
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)Cc1ccco1
InChIInChI=1S/C13H18N4O/c1-4-11-12(14-2)15-9-16-13(11)17(3)8-10-6-5-7-18-10/h5-7,9H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyZOEDYYFRRMOJHD-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(furan-2-ylmethyl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 112725379
5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80804231
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80789459
6-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80782363
5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 80802948
5-ethyl-4-N,6-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80838548
N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 65418233
4-N-[(5-bromothiophen-3-yl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80804664
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80780940) is 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1N(C)Cc1ccco1.
What is the InChIKey of 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZOEDYYFRRMOJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-11-12(14-2)15-9-16-13(11)17(3)8-10-6-5-7-18-10/h5-7,9H,4,8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80780940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).