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

C10H14F2N4 — CID 138511178

IUPAC5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESCC1CN(c2ncnc(N)c2F)CC[C@H]1F
InChIInChI=1S/C10H14F2N4/c1-6-4-16(3-2-7(6)11)10-8(12)9(13)14-5-15-10/h5-7H,2-4H2,1H3,(H2,13,14,15)/t6?,7-/m1/s1
InChIKeyOEJDJODEGGFJPK-COBSHVIPSA-N
MW228.25 g/mol
LogP1.38
Rot. Bonds1

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

5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine (PubChem CID 138511178) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
PubChem CID138511178
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESCC1CN(c2ncnc(N)c2F)CC[C@H]1F
InChIInChI=1S/C10H14F2N4/c1-6-4-16(3-2-7(6)11)10-8(12)9(13)14-5-15-10/h5-7H,2-4H2,1H3,(H2,13,14,15)/t6?,7-/m1/s1
InChIKeyOEJDJODEGGFJPK-COBSHVIPSA-N
XLogP1.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine (CID 138511178) is 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine is CC1CN(c2ncnc(N)c2F)CC[C@H]1F.
What is the InChIKey of 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is OEJDJODEGGFJPK-COBSHVIPSA-N. The full InChI is InChI=1S/C10H14F2N4/c1-6-4-16(3-2-7(6)11)10-8(12)9(13)14-5-15-10/h5-7H,2-4H2,1H3,(H2,13,14,15)/t6?,7-/m1/s1.
What are the key properties of 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine?
5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 228.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 138511178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).