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

C17H18N4O — CID 112858629

IUPAC4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H18N4O/c1-2-21(14-7-4-3-5-8-14)17-11-16(19-13-20-17)18-12-15-9-6-10-22-15/h3-11,13H,2,12H2,1H3,(H,18,19,20)
InChIKeyVQXKDJGQTNDWEH-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.84
Rot. Bonds6

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

4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112858629) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112858629
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H18N4O/c1-2-21(14-7-4-3-5-8-14)17-11-16(19-13-20-17)18-12-15-9-6-10-22-15/h3-11,13H,2,12H2,1H3,(H,18,19,20)
InChIKeyVQXKDJGQTNDWEH-UHFFFAOYSA-N
XLogP3.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112889343
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346373
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine (CID 112858629) is 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NCc2ccco2)ncn1.
What is the InChIKey of 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is VQXKDJGQTNDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-21(14-7-4-3-5-8-14)17-11-16(19-13-20-17)18-12-15-9-6-10-22-15/h3-11,13H,2,12H2,1H3,(H,18,19,20).
What are the key properties of 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112858629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).