2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine

C11H15FN4O2 — CID 175798062

IUPAC2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC3(OCCO3)[C@H](F)C2)n1
InChIInChI=1S/C11H15FN4O2/c12-8-7-16(10-14-3-1-9(13)15-10)4-2-11(8)17-5-6-18-11/h1,3,8H,2,4-7H2,(H2,13,14,15)/t8-/m1/s1
InChIKeyUEHJJKYZOQIYAY-MRVPVSSYSA-N
MW254.26 g/mol
LogP0.35
Rot. Bonds1

About 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine

2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine (PubChem CID 175798062) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
PubChem CID175798062
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC3(OCCO3)[C@H](F)C2)n1
InChIInChI=1S/C11H15FN4O2/c12-8-7-16(10-14-3-1-9(13)15-10)4-2-11(8)17-5-6-18-11/h1,3,8H,2,4-7H2,(H2,13,14,15)/t8-/m1/s1
InChIKeyUEHJJKYZOQIYAY-MRVPVSSYSA-N
XLogP0.35
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine with MolForge

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Related Compounds

(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 90176650
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
CID 72925819
2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078995
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 72909986
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363
CID 166546943
CID 166546943
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine (CID 175798062) is 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine is Nc1ccnc(N2CCC3(OCCO3)[C@H](F)C2)n1.
What is the InChIKey of 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine?
The InChIKey is UEHJJKYZOQIYAY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c12-8-7-16(10-14-3-1-9(13)15-10)4-2-11(8)17-5-6-18-11/h1,3,8H,2,4-7H2,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine?
2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine has a molecular weight of 254.26 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine is sourced from PubChem (CID 175798062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).