(3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C14H21FN4O — CID 97450565

IUPAC(3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)[C@@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C14H21FN4O/c1-18(2)12-7-14(20-10-12)3-5-19(6-4-14)13-16-8-11(15)9-17-13/h8-9,12H,3-7,10H2,1-2H3/t12-/m0/s1
InChIKeyACCVJUUYORMHMH-LBPRGKRZSA-N
MW280.35 g/mol
LogP1.31
Rot. Bonds2

About (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97450565) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97450565
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)[C@@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C14H21FN4O/c1-18(2)12-7-14(20-10-12)3-5-19(6-4-14)13-16-8-11(15)9-17-13/h8-9,12H,3-7,10H2,1-2H3/t12-/m0/s1
InChIKeyACCVJUUYORMHMH-LBPRGKRZSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,4aS,7aS)-6-ethyl-1-(5-fluoropyrimidin-2-yl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97423170
(4R,4aS,7aS)-6-(cyclopropylmethyl)-1-(5-fluoropyrimidin-2-yl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97423186
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methylbutyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510735
(4aR,7aS)-6-(cyclobutylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510736
(4aR,7aS)-6-(cyclopentylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510737
(4aR,7aS)-6-(cyclohexylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510738
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
CID 118739186
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118739200
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
3-Ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118740760

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97450565) is (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)[C@@H]1COC2(CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is ACCVJUUYORMHMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-18(2)12-7-14(20-10-12)3-5-19(6-4-14)13-16-8-11(15)9-17-13/h8-9,12H,3-7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 280.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97450565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).