(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine

C12H16ClFN4 — CID 71093748

IUPAC(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine
SMILESF[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1NC1CC1
InChIInChI=1S/C12H16ClFN4/c13-8-5-15-12(16-6-8)18-4-3-11(10(14)7-18)17-9-1-2-9/h5-6,9-11,17H,1-4,7H2/t10-,11+/m0/s1
InChIKeyJOXLHDDMYKECKN-WDEREUQCSA-N
MW270.74 g/mol
LogP1.80
Rot. Bonds3

About (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine

(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine (PubChem CID 71093748) has the molecular formula C12H16ClFN4 and a molecular weight of 270.74 g/mol. Its IUPAC name is (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine
PubChem CID71093748
Molecular FormulaC12H16ClFN4
Molecular Weight270.74 g/mol
Exact Mass270.10
IUPAC Name(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine
SMILESF[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1NC1CC1
InChIInChI=1S/C12H16ClFN4/c13-8-5-15-12(16-6-8)18-4-3-11(10(14)7-18)17-9-1-2-9/h5-6,9-11,17H,1-4,7H2/t10-,11+/m0/s1
InChIKeyJOXLHDDMYKECKN-WDEREUQCSA-N
XLogP1.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-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

5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86277751
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
5-Chloro-2-(piperidin-4-YL)pyrimidine
CID 55262357
N,N'-bis(5-chloropyrimidin-2-yl)propane-1,3-diamine
CID 72107578
2-[[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol
CID 75482946
5-Chloro-2-(4-cyclobutylpiperazin-1-yl)pyrimidine
CID 92130807
3-[(5-Chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696404
5-Chloro-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine
CID 119103508
5-Chloro-N-[1-(piperidin-1-ylmethyl)cyclopropyl]pyrimidin-2-amine
CID 124208965
(2R)-1-N-(5-chloropyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 124253806
5-chloro-N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129617851
N-{1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl}-N,N',N'-trimethylethane-1,2-diamine
CID 132421179

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine?
The IUPAC name of (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine (CID 71093748) is (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine.
What is the SMILES notation for (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine?
The canonical SMILES for (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine is F[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1NC1CC1.
What is the InChIKey of (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine?
The InChIKey is JOXLHDDMYKECKN-WDEREUQCSA-N. The full InChI is InChI=1S/C12H16ClFN4/c13-8-5-15-12(16-6-8)18-4-3-11(10(14)7-18)17-9-1-2-9/h5-6,9-11,17H,1-4,7H2/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine?
(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine has a molecular weight of 270.74 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine is sourced from PubChem (CID 71093748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).