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

C15H22N4O — CID 80795565

IUPAC4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC)Cc2ccco2)c1C
InChIInChI=1S/C15H22N4O/c1-4-8-16-14-12(3)15(18-11-17-14)19(5-2)10-13-7-6-9-20-13/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,17,18)
InChIKeyIDJAOVMHIMEASD-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.23
Rot. Bonds7

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

4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80795565) 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)-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80795565
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC)Cc2ccco2)c1C
InChIInChI=1S/C15H22N4O/c1-4-8-16-14-12(3)15(18-11-17-14)19(5-2)10-13-7-6-9-20-13/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,17,18)
InChIKeyIDJAOVMHIMEASD-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

N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896459
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995311
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80804231
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80795257
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780258
4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80757752
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80795565) is 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(CC)Cc2ccco2)c1C.
What is the InChIKey of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is IDJAOVMHIMEASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-8-16-14-12(3)15(18-11-17-14)19(5-2)10-13-7-6-9-20-13/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-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)-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80795565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).