5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine

C11H15ClF2N4 — CID 130298542

IUPAC5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
SMILESC[C@@H]1CC(F)(F)CN[C@@H]1CNc1ncc(Cl)cn1
InChIInChI=1S/C11H15ClF2N4/c1-7-2-11(13,14)6-18-9(7)5-17-10-15-3-8(12)4-16-10/h3-4,7,9,18H,2,5-6H2,1H3,(H,15,16,17)/t7-,9-/m1/s1
InChIKeyPBKQHTUGDHEAIY-VXNVDRBHSA-N
MW276.72 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine

5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 130298542) has the molecular formula C11H15ClF2N4 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID130298542
Molecular FormulaC11H15ClF2N4
Molecular Weight276.72 g/mol
Exact Mass276.10
IUPAC Name5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
SMILESC[C@@H]1CC(F)(F)CN[C@@H]1CNc1ncc(Cl)cn1
InChIInChI=1S/C11H15ClF2N4/c1-7-2-11(13,14)6-18-9(7)5-17-10-15-3-8(12)4-16-10/h3-4,7,9,18H,2,5-6H2,1H3,(H,15,16,17)/t7-,9-/m1/s1
InChIKeyPBKQHTUGDHEAIY-VXNVDRBHSA-N
XLogP2.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
5-Chloro-2-(piperidin-4-YL)pyrimidine
CID 55262357
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
2-N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
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-fluoro-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 22135716
N-[(1R,4S,6R)-3-azabicyclo[4.1.0]hept-4-ylmethyl]-5-(trifluoromethyl)-2-pyrimidinamine
CID 59363654
N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
CID 67261839
5-Fluoro-2-(2-propylpiperazin-1-yl)pyrimidine
CID 67923914
N-{[(2S,5S)-5-methyl-2-piperidinyl]methyl}-5-(trifluoromethyl)-2-pyrimidinamine
CID 67958207

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine (CID 130298542) is 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine is C[C@@H]1CC(F)(F)CN[C@@H]1CNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is PBKQHTUGDHEAIY-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H15ClF2N4/c1-7-2-11(13,14)6-18-9(7)5-17-10-15-3-8(12)4-16-10/h3-4,7,9,18H,2,5-6H2,1H3,(H,15,16,17)/t7-,9-/m1/s1.
What are the key properties of 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 276.72 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 130298542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).