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

C21H24N4O — CID 112880164

IUPAC4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-3-8-16(9-4-1)21-24-19(22-15-18-12-7-13-26-18)14-20(25-21)23-17-10-5-2-6-11-17/h1,3-4,7-9,12-14,17H,2,5-6,10-11,15H2,(H2,22,23,24,25)
InChIKeyBPJQMRUYRIQIKA-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.09
Rot. Bonds6

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

4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880164) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112880164
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-3-8-16(9-4-1)21-24-19(22-15-18-12-7-13-26-18)14-20(25-21)23-17-10-5-2-6-11-17/h1,3-4,7-9,12-14,17H,2,5-6,10-11,15H2,(H2,22,23,24,25)
InChIKeyBPJQMRUYRIQIKA-UHFFFAOYSA-N
XLogP5.09
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112881208
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (CID 112880164) is 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is c1ccc(-c2nc(NCc3ccco3)cc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is BPJQMRUYRIQIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-8-16(9-4-1)21-24-19(22-15-18-12-7-13-26-18)14-20(25-21)23-17-10-5-2-6-11-17/h1,3-4,7-9,12-14,17H,2,5-6,10-11,15H2,(H2,22,23,24,25).
What are the key properties of 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).