5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine

C10H15FN4 — CID 138511335

IUPAC5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESC[C@@H]1CCCN(c2ncnc(N)c2F)C1
InChIInChI=1S/C10H15FN4/c1-7-3-2-4-15(5-7)10-8(11)9(12)13-6-14-10/h6-7H,2-5H2,1H3,(H2,12,13,14)/t7-/m1/s1
InChIKeyKELRYFODPDYLAA-SSDOTTSWSA-N
MW210.26 g/mol
LogP1.43
Rot. Bonds1

About 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine

5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine (PubChem CID 138511335) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
PubChem CID138511335
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESC[C@@H]1CCCN(c2ncnc(N)c2F)C1
InChIInChI=1S/C10H15FN4/c1-7-3-2-4-15(5-7)10-8(11)9(12)13-6-14-10/h6-7H,2-5H2,1H3,(H2,12,13,14)/t7-/m1/s1
InChIKeyKELRYFODPDYLAA-SSDOTTSWSA-N
XLogP1.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine (CID 138511335) is 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine is C[C@@H]1CCCN(c2ncnc(N)c2F)C1.
What is the InChIKey of 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is KELRYFODPDYLAA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15FN4/c1-7-3-2-4-15(5-7)10-8(11)9(12)13-6-14-10/h6-7H,2-5H2,1H3,(H2,12,13,14)/t7-/m1/s1.
What are the key properties of 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine?
5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 210.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 138511335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).