(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol

C10H15FN4O — CID 118055393

IUPAC(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2ncnc(N)c2F)CC[C@@H]1O
InChIInChI=1S/C10H15FN4O/c1-6-4-15(3-2-7(6)16)10-8(11)9(12)13-5-14-10/h5-7,16H,2-4H2,1H3,(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyAXFYJWOHLVVSSX-BQBZGAKWSA-N
MW226.25 g/mol
LogP0.41
Rot. Bonds1

About (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol

(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 118055393) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID118055393
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2ncnc(N)c2F)CC[C@@H]1O
InChIInChI=1S/C10H15FN4O/c1-6-4-15(3-2-7(6)16)10-8(11)9(12)13-5-14-10/h5-7,16H,2-4H2,1H3,(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyAXFYJWOHLVVSSX-BQBZGAKWSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 118055393) is (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol is C[C@H]1CN(c2ncnc(N)c2F)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is AXFYJWOHLVVSSX-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6-4-15(3-2-7(6)16)10-8(11)9(12)13-5-14-10/h5-7,16H,2-4H2,1H3,(H2,12,13,14)/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol?
(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 226.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 118055393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).