6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine

C12H17N5O — CID 80795367

IUPAC6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)Cc2ccoc2)nc(N)n1
InChIInChI=1S/C12H17N5O/c1-3-14-10-6-11(16-12(13)15-10)17(2)7-9-4-5-18-8-9/h4-6,8H,3,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyXEKKPIAYWMIRIT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.72
Rot. Bonds5

About 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80795367) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID80795367
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)Cc2ccoc2)nc(N)n1
InChIInChI=1S/C12H17N5O/c1-3-14-10-6-11(16-12(13)15-10)17(2)7-9-4-5-18-8-9/h4-6,8H,3,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyXEKKPIAYWMIRIT-UHFFFAOYSA-N
XLogP1.72
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80965194
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80804328
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80831583
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine (CID 80795367) is 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine is CCNc1cc(N(C)Cc2ccoc2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is XEKKPIAYWMIRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-14-10-6-11(16-12(13)15-10)17(2)7-9-4-5-18-8-9/h4-6,8H,3,7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 247.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80795367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).