N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine

C17H17N3O3 — CID 3234160

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(-c3ccoc3)n2)c(OC)c1
InChIInChI=1S/C17H17N3O3/c1-21-14-4-3-12(15(9-14)22-2)10-19-16-5-7-18-17(20-16)13-6-8-23-11-13/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyXELANEAUUFFMIR-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.37
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine (PubChem CID 3234160) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine
PubChem CID3234160
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(-c3ccoc3)n2)c(OC)c1
InChIInChI=1S/C17H17N3O3/c1-21-14-4-3-12(15(9-14)22-2)10-19-16-5-7-18-17(20-16)13-6-8-23-11-13/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyXELANEAUUFFMIR-UHFFFAOYSA-N
XLogP3.37
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 3232843
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 3233990
N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-amine
CID 3234018
2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234233
N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine
CID 3235132
4-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]-N,N-dimethylbenzamide
CID 3235288
(1-Furan-3-yl-cyclopropyl)-propyl-[4-(2,4,6-trimethoxy-phenyl)-pyrimidin-2-yl]-amine
CID 44306535
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 3233016
N-benzyl-2-(furan-3-yl)pyrimidin-4-amine
CID 3233094
N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)pyrimidin-4-amine
CID 3233157

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine (CID 3234160) is N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine is COc1ccc(CNc2ccnc(-c3ccoc3)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is XELANEAUUFFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-21-14-4-3-12(15(9-14)22-2)10-19-16-5-7-18-17(20-16)13-6-8-23-11-13/h3-9,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine has a molecular weight of 311.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 3234160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).