2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine

C10H15FN4 — CID 156550418

IUPAC2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESC[C@]1(F)CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C10H15FN4/c1-10(11)4-2-6-15(7-10)9-13-5-3-8(12)14-9/h3,5H,2,4,6-7H2,1H3,(H2,12,13,14)/t10-/m0/s1
InChIKeyRLWUKDASKRXTQH-JTQLQIEISA-N
MW210.26 g/mol
LogP1.39
Rot. Bonds1

About 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine

2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine (PubChem CID 156550418) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
PubChem CID156550418
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESC[C@]1(F)CCCN(c2nccc(N)n2)C1
InChIInChI=1S/C10H15FN4/c1-10(11)4-2-6-15(7-10)9-13-5-3-8(12)14-9/h3,5H,2,4,6-7H2,1H3,(H2,12,13,14)/t10-/m0/s1
InChIKeyRLWUKDASKRXTQH-JTQLQIEISA-N
XLogP1.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363
(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95715036
[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97156516
(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 90176650
[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 95208187
(3R)-1-(4-aminopyrimidin-2-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 95550282
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
1-(4-aminopyrimidin-2-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 56872755
2-[(3S,4R)-4-(2-azidoethoxy)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156538324

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine (CID 156550418) is 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine is C[C@]1(F)CCCN(c2nccc(N)n2)C1.
What is the InChIKey of 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is RLWUKDASKRXTQH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15FN4/c1-10(11)4-2-6-15(7-10)9-13-5-3-8(12)14-9/h3,5H,2,4,6-7H2,1H3,(H2,12,13,14)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 210.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 156550418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).