N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine

C18H22F2N4O — CID 171999445

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)C2CCCN(Cc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C18H22F2N4O/c1-23(17-9-18(25-2)22-12-21-17)14-4-3-7-24(11-14)10-13-5-6-15(19)16(20)8-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3
InChIKeyCWKGVQALCAQXOO-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.86
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine

N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine (PubChem CID 171999445) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
PubChem CID171999445
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)C2CCCN(Cc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C18H22F2N4O/c1-23(17-9-18(25-2)22-12-21-17)14-4-3-7-24(11-14)10-13-5-6-15(19)16(20)8-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3
InChIKeyCWKGVQALCAQXOO-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
CID 171999463
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 171995689
N-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 172902521
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155974679
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
4-N,6-N,6-N-trimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 172893202
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 172891963
4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998706
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine (CID 171999445) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine is COc1cc(N(C)C2CCCN(Cc3ccc(F)c(F)c3)C2)ncn1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is CWKGVQALCAQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-23(17-9-18(25-2)22-12-21-17)14-4-3-7-24(11-14)10-13-5-6-15(19)16(20)8-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 348.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 171999445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).