N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine

C19H24F2N4O — CID 172882405

IUPACN-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(Cc3cccc(OC(F)F)c3)C2)n1
InChIInChI=1S/C19H24F2N4O/c1-14-8-9-22-19(23-14)24(2)16-6-4-10-25(13-16)12-15-5-3-7-17(11-15)26-18(20)21/h3,5,7-9,11,16,18H,4,6,10,12-13H2,1-2H3
InChIKeyWKJLTRKUKPJFNY-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.49
Rot. Bonds6

About N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine

N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 172882405) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
PubChem CID172882405
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC NameN-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(Cc3cccc(OC(F)F)c3)C2)n1
InChIInChI=1S/C19H24F2N4O/c1-14-8-9-22-19(23-14)24(2)16-6-4-10-25(13-16)12-15-5-3-7-17(11-15)26-18(20)21/h3,5,7-9,11,16,18H,4,6,10,12-13H2,1-2H3
InChIKeyWKJLTRKUKPJFNY-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-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

2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172892048
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172893331
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
CID 145119200
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998484
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
N,4-dimethyl-N-[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171995291
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
CID 133483749
3-[[3-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]piperidin-1-yl]methyl]benzonitrile
CID 172903180

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine (CID 172882405) is N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)C2CCCN(Cc3cccc(OC(F)F)c3)C2)n1.
What is the InChIKey of N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is WKJLTRKUKPJFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-14-8-9-22-19(23-14)24(2)16-6-4-10-25(13-16)12-15-5-3-7-17(11-15)26-18(20)21/h3,5,7-9,11,16,18H,4,6,10,12-13H2,1-2H3.
What are the key properties of N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 362.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 172882405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).