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

C16H18F2N6 — CID 97450270

IUPAC(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@]3(CCN(c4ncc(F)cn4)C3)C2)nc1
InChIInChI=1S/C16H18F2N6/c17-12-6-19-14(20-7-12)23-4-1-2-16(10-23)3-5-24(11-16)15-21-8-13(18)9-22-15/h6-9H,1-5,10-11H2/t16-/m0/s1
InChIKeyIDROLZKEAWOMFD-INIZCTEOSA-N
MW332.36 g/mol
LogP2.04
Rot. Bonds2

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

(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 97450270) has the molecular formula C16H18F2N6 and a molecular weight of 332.36 g/mol. Its IUPAC name is (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID97450270
Molecular FormulaC16H18F2N6
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@]3(CCN(c4ncc(F)cn4)C3)C2)nc1
InChIInChI=1S/C16H18F2N6/c17-12-6-19-14(20-7-12)23-4-1-2-16(10-23)3-5-24(11-16)15-21-8-13(18)9-22-15/h6-9H,1-5,10-11H2/t16-/m0/s1
InChIKeyIDROLZKEAWOMFD-INIZCTEOSA-N
XLogP2.04
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69492776
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
7-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 131648835
cyclopent-3-en-1-yl-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450304
2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482392
2-(dimethylamino)-1-[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 134080137
2-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118639949
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 118745159
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 134080134

Frequently Asked Questions

What is the IUPAC name of (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 97450270) is (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is Fc1cnc(N2CCC[C@]3(CCN(c4ncc(F)cn4)C3)C2)nc1.
What is the InChIKey of (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is IDROLZKEAWOMFD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18F2N6/c17-12-6-19-14(20-7-12)23-4-1-2-16(10-23)3-5-24(11-16)15-21-8-13(18)9-22-15/h6-9H,1-5,10-11H2/t16-/m0/s1.
What are the key properties of (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 332.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97450270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).