N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C15H16F2N4 — CID 112868570

IUPACN-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)cc2F)cc(N2CCCC2)n1
InChIInChI=1S/C15H16F2N4/c1-10-18-14(9-15(19-10)21-6-2-3-7-21)20-13-5-4-11(16)8-12(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,20)
InChIKeyDMVSYKVCIIEXQX-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.41
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112868570) has the molecular formula C15H16F2N4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112868570
Molecular FormulaC15H16F2N4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)cc2F)cc(N2CCCC2)n1
InChIInChI=1S/C15H16F2N4/c1-10-18-14(9-15(19-10)21-6-2-3-7-21)20-13-5-4-11(16)8-12(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,20)
InChIKeyDMVSYKVCIIEXQX-UHFFFAOYSA-N
XLogP3.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-difluorophenyl)-2-methyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112878913
N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869121
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112874788
2,5-difluoro-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297191
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
4-N-butan-2-yl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868386
N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884594

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112868570) is N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(Nc2ccc(F)cc2F)cc(N2CCCC2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is DMVSYKVCIIEXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4/c1-10-18-14(9-15(19-10)21-6-2-3-7-21)20-13-5-4-11(16)8-12(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19,20).
What are the key properties of N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 290.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).