N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C17H20F2N4 — CID 112876634

IUPACN-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H20F2N4/c1-11-4-3-7-23(10-11)17-9-16(20-12(2)21-17)22-13-5-6-14(18)15(19)8-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21,22)
InChIKeyDLBYMOSGZCBRQC-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.04
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112876634) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112876634
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC NameN-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H20F2N4/c1-11-4-3-7-23(10-11)17-9-16(20-12(2)21-17)22-13-5-6-14(18)15(19)8-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21,22)
InChIKeyDLBYMOSGZCBRQC-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539
2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 112876602
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960699
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
N-(2-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876573
6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 69028705
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112876634) is N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1nc(Nc2ccc(F)c(F)c2)cc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is DLBYMOSGZCBRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c1-11-4-3-7-23(10-11)17-9-16(20-12(2)21-17)22-13-5-6-14(18)15(19)8-13/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 318.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112876634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).