(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol

C9H13FN4O — CID 156550348

IUPAC(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
SMILESNc1ccnc(N2CC[C@@H](F)[C@@H](O)C2)n1
InChIInChI=1S/C9H13FN4O/c10-6-2-4-14(5-7(6)15)9-12-3-1-8(11)13-9/h1,3,6-7,15H,2,4-5H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKeyOKWPNCJEAVAJPH-RQJHMYQMSA-N
MW212.23 g/mol
LogP-0.03
Rot. Bonds1

About (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol

(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol (PubChem CID 156550348) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
PubChem CID156550348
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
SMILESNc1ccnc(N2CC[C@@H](F)[C@@H](O)C2)n1
InChIInChI=1S/C9H13FN4O/c10-6-2-4-14(5-7(6)15)9-12-3-1-8(11)13-9/h1,3,6-7,15H,2,4-5H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKeyOKWPNCJEAVAJPH-RQJHMYQMSA-N
XLogP-0.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol 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

(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
CID 166546943
CID 166546943
1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
CID 156538204
(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 72909986
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 90176650
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
CID 175798062
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 116797068
2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078995

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol?
The IUPAC name of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol (CID 156550348) is (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol is Nc1ccnc(N2CC[C@@H](F)[C@@H](O)C2)n1.
What is the InChIKey of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol?
The InChIKey is OKWPNCJEAVAJPH-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-6-2-4-14(5-7(6)15)9-12-3-1-8(11)13-9/h1,3,6-7,15H,2,4-5H2,(H2,11,12,13)/t6-,7+/m1/s1.
What are the key properties of (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol?
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol has a molecular weight of 212.23 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol is sourced from PubChem (CID 156550348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).