5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine

C13H18N4O — CID 80804231

IUPAC5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCc1ccco1
InChIInChI=1S/C13H18N4O/c1-3-11-12(14-2)16-9-17-13(11)15-7-6-10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyYDVHDYAIPYVBRB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds6

About 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80804231) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80804231
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCc1ccco1
InChIInChI=1S/C13H18N4O/c1-3-11-12(14-2)16-9-17-13(11)15-7-6-10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyYDVHDYAIPYVBRB-UHFFFAOYSA-N
XLogP2.33
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 80802948
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424216
5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80833185
6-ethoxy-N-[2-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 66328978
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80789459
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80795565

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine (CID 80804231) is 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCCc1ccco1.
What is the InChIKey of 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is YDVHDYAIPYVBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-11-12(14-2)16-9-17-13(11)15-7-6-10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80804231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).