N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine

C20H26ClN5O2S — CID 75586277

IUPACN-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)nc1
InChIInChI=1S/C20H26ClN5O2S/c1-29(27,28)17-2-3-19(23-13-17)22-7-4-15-10-18(15)14-5-8-26(9-6-14)20-24-11-16(21)12-25-20/h2-3,11-15,18H,4-10H2,1H3,(H,22,23)
InChIKeyUJHDGSTXRGRLHP-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.28
Rot. Bonds7

About N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine

N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine (PubChem CID 75586277) has the molecular formula C20H26ClN5O2S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine
PubChem CID75586277
Molecular FormulaC20H26ClN5O2S
Molecular Weight435.98 g/mol
Exact Mass435.15
IUPAC NameN-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)nc1
InChIInChI=1S/C20H26ClN5O2S/c1-29(27,28)17-2-3-19(23-13-17)22-7-4-15-10-18(15)14-5-8-26(9-6-14)20-24-11-16(21)12-25-20/h2-3,11-15,18H,4-10H2,1H3,(H,22,23)
InChIKeyUJHDGSTXRGRLHP-UHFFFAOYSA-N
XLogP3.28
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-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

N-[5-[2-[(1S,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-2-pyridinyl]acetamide
CID 50940280
2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 124563475
2-[(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 126694308
4-[2-[(1S,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-6-methylpyrimidine-2-carbonitrile
CID 50939663
N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-3-methyl-2H-indazol-5-amine
CID 75585881
5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one
CID 67962170
[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
CID 89484385
N-[2-[(1S,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-amine
CID 67778188
5-methyl-2-[4-[(1R,2R)-2-[(5-methylsulfonyl-2-pyridinyl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 71135257
5-[2-[(1S,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-2,3-dihydroisoindol-1-one
CID 50938762
N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide
CID 75586465
5-[2-[(1S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-2-cyclopropyl-3H-isoindol-1-one
CID 67962329

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine (CID 75586277) is N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine is CS(=O)(=O)c1ccc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)nc1.
What is the InChIKey of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine?
The InChIKey is UJHDGSTXRGRLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2S/c1-29(27,28)17-2-3-19(23-13-17)22-7-4-15-10-18(15)14-5-8-26(9-6-14)20-24-11-16(21)12-25-20/h2-3,11-15,18H,4-10H2,1H3,(H,22,23).
What are the key properties of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine?
N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine has a molecular weight of 435.98 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 75586277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).