2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine

C16H14FN3O — CID 59517822

IUPAC2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(-c2ccccc2F)ncc1-c1ccoc1
InChIInChI=1S/C16H14FN3O/c1-20(2)16-13(11-7-8-21-10-11)9-18-15(19-16)12-5-3-4-6-14(12)17/h3-10H,1-2H3
InChIKeyXBCWLJNRLWKMRR-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine

2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine (PubChem CID 59517822) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine
PubChem CID59517822
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(-c2ccccc2F)ncc1-c1ccoc1
InChIInChI=1S/C16H14FN3O/c1-20(2)16-13(11-7-8-21-10-11)9-18-15(19-16)12-5-3-4-6-14(12)17/h3-10H,1-2H3
InChIKeyXBCWLJNRLWKMRR-UHFFFAOYSA-N
XLogP3.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine 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

Carm1-IN-6
CID 50985208
N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3232663
5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
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
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233202
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-(furan-2-ylmethyl)-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
CID 3233699
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233813
4-[4-[furan-2-ylmethyl(methyl)amino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3234078

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine (CID 59517822) is 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine is CN(C)c1nc(-c2ccccc2F)ncc1-c1ccoc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine?
The InChIKey is XBCWLJNRLWKMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(2)16-13(11-7-8-21-10-11)9-18-15(19-16)12-5-3-4-6-14(12)17/h3-10H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine?
2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine has a molecular weight of 283.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 59517822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).