N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine

C26H20N4O — CID 4099468

IUPACN-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(-c2cncc(-c3cc(NCc4ccco4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H20N4O/c1-3-8-19(9-4-1)21-14-22(17-27-16-21)24-15-25(28-18-23-12-7-13-31-23)30-26(29-24)20-10-5-2-6-11-20/h1-17H,18H2,(H,28,29,30)
InChIKeyVHPJGGBMCLRIED-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.08
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine

N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 4099468) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID4099468
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC NameN-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(-c2cncc(-c3cc(NCc4ccco4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H20N4O/c1-3-8-19(9-4-1)21-14-22(17-27-16-21)24-15-25(28-18-23-12-7-13-31-23)30-26(29-24)20-10-5-2-6-11-20/h1-17H,18H2,(H,28,29,30)
InChIKeyVHPJGGBMCLRIED-UHFFFAOYSA-N
XLogP6.08
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 4126935
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
N-benzyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 3507207
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine (CID 4099468) is N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine is c1ccc(-c2cncc(-c3cc(NCc4ccco4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is VHPJGGBMCLRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c1-3-8-19(9-4-1)21-14-22(17-27-16-21)24-15-25(28-18-23-12-7-13-31-23)30-26(29-24)20-10-5-2-6-11-20/h1-17H,18H2,(H,28,29,30).
What are the key properties of N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 404.47 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 4099468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).