5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine

C15H24FN5O — CID 171359687

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NC[C@H]2CC3(CCNCC3)CO2)ncc1F
InChIInChI=1S/C15H24FN5O/c1-21(2)13-12(16)9-19-14(20-13)18-8-11-7-15(10-22-11)3-5-17-6-4-15/h9,11,17H,3-8,10H2,1-2H3,(H,18,19,20)/t11-/m1/s1
InChIKeyICXRTXUBPGVLJB-LLVKDONJSA-N
MW309.39 g/mol
LogP1.25
Rot. Bonds4

About 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 171359687) has the molecular formula C15H24FN5O and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
PubChem CID171359687
Molecular FormulaC15H24FN5O
Molecular Weight309.39 g/mol
Exact Mass309.20
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NC[C@H]2CC3(CCNCC3)CO2)ncc1F
InChIInChI=1S/C15H24FN5O/c1-21(2)13-12(16)9-19-14(20-13)18-8-11-7-15(10-22-11)3-5-17-6-4-15/h9,11,17H,3-8,10H2,1-2H3,(H,18,19,20)/t11-/m1/s1
InChIKeyICXRTXUBPGVLJB-LLVKDONJSA-N
XLogP1.25
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine (CID 171359687) is 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine is CN(C)c1nc(NC[C@H]2CC3(CCNCC3)CO2)ncc1F.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is ICXRTXUBPGVLJB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24FN5O/c1-21(2)13-12(16)9-19-14(20-13)18-8-11-7-15(10-22-11)3-5-17-6-4-15/h9,11,17H,3-8,10H2,1-2H3,(H,18,19,20)/t11-/m1/s1.
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 309.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171359687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).