4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

C15H22N4O — CID 80796536

IUPAC4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)Cc2ccco2)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-4-8-16-14-10-15(18-12(3)17-14)19(5-2)11-13-7-6-9-20-13/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,17,18)
InChIKeyQPUSJZIUZOCRCQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.23
Rot. Bonds7

About 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80796536) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80796536
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)Cc2ccco2)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-4-8-16-14-10-15(18-12(3)17-14)19(5-2)11-13-7-6-9-20-13/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,17,18)
InChIKeyQPUSJZIUZOCRCQ-UHFFFAOYSA-N
XLogP3.23
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-ylmethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80858748
4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80896307
4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112873142
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80789824
6-ethoxy-N-[2-(furan-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 66327724
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80795565
5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891483
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide
CID 80806263
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80796536) is 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)Cc2ccco2)nc(C)n1.
What is the InChIKey of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is QPUSJZIUZOCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-8-16-14-10-15(18-12(3)17-14)19(5-2)11-13-7-6-9-20-13/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80796536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).