4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

C19H22N4O — CID 112858634

IUPAC4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C19H22N4O/c1-3-14-7-5-8-15(4-2)19(14)23-18-11-17(21-13-22-18)20-12-16-9-6-10-24-16/h5-11,13H,3-4,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyVAZAHKHMIDTURQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.55
Rot. Bonds7

About 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112858634) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112858634
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C19H22N4O/c1-3-14-7-5-8-15(4-2)19(14)23-18-11-17(21-13-22-18)20-12-16-9-6-10-24-16/h5-11,13H,3-4,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyVAZAHKHMIDTURQ-UHFFFAOYSA-N
XLogP4.55
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871395
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856745
6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112858694
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858660

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112858634) is 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is CCc1cccc(CC)c1Nc1cc(NCc2ccco2)ncn1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is VAZAHKHMIDTURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-14-7-5-8-15(4-2)19(14)23-18-11-17(21-13-22-18)20-12-16-9-6-10-24-16/h5-11,13H,3-4,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 322.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).