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

C9H14FN5O — CID 118046972

IUPAC(3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESNc1ncnc(N2CC[C@H](O)[C@@H](N)C2)c1F
InChIInChI=1S/C9H14FN5O/c10-7-8(12)13-4-14-9(7)15-2-1-6(16)5(11)3-15/h4-6,16H,1-3,11H2,(H2,12,13,14)/t5-,6-/m0/s1
InChIKeyXUJCMWDEGYKSAY-WDSKDSINSA-N
MW227.24 g/mol
LogP-0.90
Rot. Bonds1

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

(3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol (PubChem CID 118046972) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
PubChem CID118046972
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name(3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESNc1ncnc(N2CC[C@H](O)[C@@H](N)C2)c1F
InChIInChI=1S/C9H14FN5O/c10-7-8(12)13-4-14-9(7)15-2-1-6(16)5(11)3-15/h4-6,16H,1-3,11H2,(H2,12,13,14)/t5-,6-/m0/s1
InChIKeyXUJCMWDEGYKSAY-WDSKDSINSA-N
XLogP-0.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol (CID 118046972) is (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol is Nc1ncnc(N2CC[C@H](O)[C@@H](N)C2)c1F.
What is the InChIKey of (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is XUJCMWDEGYKSAY-WDSKDSINSA-N. The full InChI is InChI=1S/C9H14FN5O/c10-7-8(12)13-4-14-9(7)15-2-1-6(16)5(11)3-15/h4-6,16H,1-3,11H2,(H2,12,13,14)/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
(3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 227.24 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 118046972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).