N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine

C12H15N3O3 — CID 43552093

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccco1
InChIInChI=1S/C12H15N3O3/c1-16-11-10(12(17-2)15-8-14-11)7-13-6-9-4-3-5-18-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyYXXROOVXCPFQII-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.38
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 43552093) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID43552093
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccco1
InChIInChI=1S/C12H15N3O3/c1-16-11-10(12(17-2)15-8-14-11)7-13-6-9-4-3-5-18-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyYXXROOVXCPFQII-UHFFFAOYSA-N
XLogP1.38
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
CID 43552155
N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126966130
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine
CID 81121557
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine (CID 43552093) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine is COc1ncnc(OC)c1CNCc1ccco1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is YXXROOVXCPFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-16-11-10(12(17-2)15-8-14-11)7-13-6-9-4-3-5-18-9/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 249.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 43552093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).