(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol

C10H14F2N4O — CID 156538363

IUPAC(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(c2nccc(N)n2)CC1(F)F
InChIInChI=1S/C10H14F2N4O/c1-9(17)3-5-16(6-10(9,11)12)8-14-4-2-7(13)15-8/h2,4,17H,3,5-6H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyHEOYMJZFTKXXCW-SECBINFHSA-N
MW244.24 g/mol
LogP0.66
Rot. Bonds1

About (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol

(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol (PubChem CID 156538363) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
PubChem CID156538363
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(c2nccc(N)n2)CC1(F)F
InChIInChI=1S/C10H14F2N4O/c1-9(17)3-5-16(6-10(9,11)12)8-14-4-2-7(13)15-8/h2,4,17H,3,5-6H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyHEOYMJZFTKXXCW-SECBINFHSA-N
XLogP0.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156550418
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
(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
(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
CID 72925819
[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97156516
2-[(3S,4R)-4-(2-azidoethoxy)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156538324
2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
CID 175798062
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906855
(4R)-3,3-difluoro-4-methyl-1-[4-[[8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 156550663

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol?
The IUPAC name of (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol (CID 156538363) is (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol.
What is the SMILES notation for (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol?
The canonical SMILES for (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol is C[C@@]1(O)CCN(c2nccc(N)n2)CC1(F)F.
What is the InChIKey of (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol?
The InChIKey is HEOYMJZFTKXXCW-SECBINFHSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-9(17)3-5-16(6-10(9,11)12)8-14-4-2-7(13)15-8/h2,4,17H,3,5-6H2,1H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol?
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol has a molecular weight of 244.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol is sourced from PubChem (CID 156538363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).