2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine

C20H24F2N4 — CID 172902539

IUPAC2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H24F2N4/c1-25(19-4-7-23-20(24-19)15-2-3-15)18-5-8-26(9-6-18)13-14-10-16(21)12-17(22)11-14/h4,7,10-12,15,18H,2-3,5-6,8-9,13H2,1H3
InChIKeyHPZOHRIAITWJGX-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.73
Rot. Bonds5

About 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine

2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine (PubChem CID 172902539) has the molecular formula C20H24F2N4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
PubChem CID172902539
Molecular FormulaC20H24F2N4
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H24F2N4/c1-25(19-4-7-23-20(24-19)15-2-3-15)18-5-8-26(9-6-18)13-14-10-16(21)12-17(22)11-14/h4,7,10-12,15,18H,2-3,5-6,8-9,13H2,1H3
InChIKeyHPZOHRIAITWJGX-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904384
2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172904420
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901800
2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172903091
4-N-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 175649102
2-[4-[(2-cyclopropylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 172904606
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892095
2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
2-cyclopropyl-N-ethyl-N-methylpyrimidin-4-amine
CID 66911129
2-N,2-N,4-N-trimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172904147
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine (CID 172902539) is 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine is CN(c1ccnc(C2CC2)n1)C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
The InChIKey is HPZOHRIAITWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4/c1-25(19-4-7-23-20(24-19)15-2-3-15)18-5-8-26(9-6-18)13-14-10-16(21)12-17(22)11-14/h4,7,10-12,15,18H,2-3,5-6,8-9,13H2,1H3.
What are the key properties of 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine has a molecular weight of 358.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 172902539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).