N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine

C12H17FN4O2S — CID 100655032

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C12H17FN4O2S/c13-9-7-14-12(15-8-9)16-10-3-5-17(6-4-10)20(18,19)11-1-2-11/h7-8,10-11H,1-6H2,(H,14,15,16)
InChIKeyZRCGUUWZCVMOGJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.98
Rot. Bonds4

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 100655032) has the molecular formula C12H17FN4O2S and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID100655032
Molecular FormulaC12H17FN4O2S
Molecular Weight300.36 g/mol
Exact Mass300.11
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C12H17FN4O2S/c13-9-7-14-12(15-8-9)16-10-3-5-17(6-4-10)20(18,19)11-1-2-11/h7-8,10-11H,1-6H2,(H,14,15,16)
InChIKeyZRCGUUWZCVMOGJ-UHFFFAOYSA-N
XLogP0.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50960313
2-Cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739084
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 53624199
1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide
CID 75376381
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 94210816
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 97130364
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
CID 124085647
N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 126568334
(3R)-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
CID 132107395

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine (CID 100655032) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine is O=S(=O)(C1CC1)N1CCC(Nc2ncc(F)cn2)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is ZRCGUUWZCVMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2S/c13-9-7-14-12(15-8-9)16-10-3-5-17(6-4-10)20(18,19)11-1-2-11/h7-8,10-11H,1-6H2,(H,14,15,16).
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 300.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 100655032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).