(3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol

C11H18FN5O — CID 70783493

IUPAC(3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol
SMILESCN(C)c1nc(N2CC[C@@H](N)[C@H](O)C2)ncc1F
InChIInChI=1S/C11H18FN5O/c1-16(2)10-7(12)5-14-11(15-10)17-4-3-8(13)9(18)6-17/h5,8-9,18H,3-4,6,13H2,1-2H3/t8-,9-/m1/s1
InChIKeyYCJFKQCEHZOYJT-RKDXNWHRSA-N
MW255.30 g/mol
LogP-0.42
Rot. Bonds2

About (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol

(3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol (PubChem CID 70783493) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol
PubChem CID70783493
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name(3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol
SMILESCN(C)c1nc(N2CC[C@@H](N)[C@H](O)C2)ncc1F
InChIInChI=1S/C11H18FN5O/c1-16(2)10-7(12)5-14-11(15-10)17-4-3-8(13)9(18)6-17/h5,8-9,18H,3-4,6,13H2,1-2H3/t8-,9-/m1/s1
InChIKeyYCJFKQCEHZOYJT-RKDXNWHRSA-N
XLogP-0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol (CID 70783493) is (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol is CN(C)c1nc(N2CC[C@@H](N)[C@H](O)C2)ncc1F.
What is the InChIKey of (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol?
The InChIKey is YCJFKQCEHZOYJT-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-16(2)10-7(12)5-14-11(15-10)17-4-3-8(13)9(18)6-17/h5,8-9,18H,3-4,6,13H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol?
(3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol has a molecular weight of 255.30 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 70783493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).