N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

C17H17N3O2 — CID 3234511

IUPACN-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1N(C)Cc1ccco1
InChIInChI=1S/C17H17N3O2/c1-20(11-13-6-5-9-22-13)17-15(10-18-12-19-17)14-7-3-4-8-16(14)21-2/h3-10,12H,11H2,1-2H3
InChIKeyUAWQASOFQTXKRM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.38
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 3234511) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID3234511
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1N(C)Cc1ccco1
InChIInChI=1S/C17H17N3O2/c1-20(11-13-6-5-9-22-13)17-15(10-18-12-19-17)14-7-3-4-8-16(14)21-2/h3-10,12H,11H2,1-2H3
InChIKeyUAWQASOFQTXKRM-UHFFFAOYSA-N
XLogP3.38
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 3234511) is N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is COc1ccccc1-c1cncnc1N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is UAWQASOFQTXKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(11-13-6-5-9-22-13)17-15(10-18-12-19-17)14-7-3-4-8-16(14)21-2/h3-10,12H,11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3234511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).