9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

C17H21FN6 — CID 118739503

IUPAC9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCc1cnc(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2)nc1
InChIInChI=1S/C17H21FN6/c1-13-7-19-15(20-8-13)24-6-4-17(12-24)3-2-5-23(11-17)16-21-9-14(18)10-22-16/h7-10H,2-6,11-12H2,1H3
InChIKeyNCTLEYPAXIORSP-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.21
Rot. Bonds2

About 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 118739503) has the molecular formula C17H21FN6 and a molecular weight of 328.39 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID118739503
Molecular FormulaC17H21FN6
Molecular Weight328.39 g/mol
Exact Mass328.18
IUPAC Name9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCc1cnc(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2)nc1
InChIInChI=1S/C17H21FN6/c1-13-7-19-15(20-8-13)24-6-4-17(12-24)3-2-5-23(11-17)16-21-9-14(18)10-22-16/h7-10H,2-6,11-12H2,1H3
InChIKeyNCTLEYPAXIORSP-UHFFFAOYSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(Cyclobutylmethyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45193840
7-(Cyclobutylmethyl)-2-[(2-methoxy-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45229858
9-(Cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45239115
7-(Cyclobutylmethyl)-2-[(2-ethyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45252850
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
5-{[3-(1-Piperidinylmethyl)-1-piperidinyl]methyl}-2-(1-pyrrolidinyl)pyrimidine
CID 70744725
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
9-(5-Fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739083
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
9-(5-Fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118739498
2-(2-Ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 118740947
6-Methyl-2-(5-methylpyrimidin-2-yl)-2,6-diazaspiro[4.5]decane
CID 118742199

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 118739503) is 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is Cc1cnc(N2CCC3(CCCN(c4ncc(F)cn4)C3)C2)nc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is NCTLEYPAXIORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6/c1-13-7-19-15(20-8-13)24-6-4-17(12-24)3-2-5-23(11-17)16-21-9-14(18)10-22-16/h7-10H,2-6,11-12H2,1H3.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 328.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).