5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C16H15N3O2 — CID 3232775

IUPAC5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccoc1
InChIInChI=1S/C16H15N3O2/c1-20-15-5-3-2-4-12(15)8-18-16-14(9-17-11-19-16)13-6-7-21-10-13/h2-7,9-11H,8H2,1H3,(H,17,18,19)
InChIKeyGININQDBFYGKGX-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.36
Rot. Bonds5

About 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3232775) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3232775
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccoc1
InChIInChI=1S/C16H15N3O2/c1-20-15-5-3-2-4-12(15)8-18-16-14(9-17-11-19-16)13-6-7-21-10-13/h2-7,9-11H,8H2,1H3,(H,17,18,19)
InChIKeyGININQDBFYGKGX-UHFFFAOYSA-N
XLogP3.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-3-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240123
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-pyrimidin-2-ylacetyl)amino]ethyl]boronic acid
CID 140861690
2-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3232916
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
CID 3233619
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3234078
N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine
CID 3234160
2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234233
N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234803
N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine
CID 3235132

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3232775) is 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ncncc1-c1ccoc1.
What is the InChIKey of 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is GININQDBFYGKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-15-5-3-2-4-12(15)8-18-16-14(9-17-11-19-16)13-6-7-21-10-13/h2-7,9-11H,8H2,1H3,(H,17,18,19).
What are the key properties of 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3232775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).