N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine

C22H20N4O2 — CID 4663049

IUPACN-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2cncc(-c3cc(NCc4ccco4)nc(C)n3)c2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-25-21(11-22(26-15)24-14-20-4-3-9-28-20)18-10-17(12-23-13-18)16-5-7-19(27-2)8-6-16/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeySDEGUZVQJMOSHT-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.73
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine

N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine (PubChem CID 4663049) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine
PubChem CID4663049
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2cncc(-c3cc(NCc4ccco4)nc(C)n3)c2)cc1
InChIInChI=1S/C22H20N4O2/c1-15-25-21(11-22(26-15)24-14-20-4-3-9-28-20)18-10-17(12-23-13-18)16-5-7-19(27-2)8-6-16/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeySDEGUZVQJMOSHT-UHFFFAOYSA-N
XLogP4.73
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 73353575
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CID 719250
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CID 141492943
CID 141492943
CID 141492999
CID 141492999
CID 141493000
CID 141493000
CID 661878
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CID 2908311
CID 2908311

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine (CID 4663049) is N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine is COc1ccc(-c2cncc(-c3cc(NCc4ccco4)nc(C)n3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
The InChIKey is SDEGUZVQJMOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-25-21(11-22(26-15)24-14-20-4-3-9-28-20)18-10-17(12-23-13-18)16-5-7-19(27-2)8-6-16/h3-13H,14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 4663049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).