1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane

C16H23FN4 — CID 97385700

IUPAC1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CCCN3CC3CC3)CC2)nc1
InChIInChI=1S/C16H23FN4/c17-14-10-18-15(19-11-14)20-8-5-16(6-9-20)4-1-7-21(16)12-13-2-3-13/h10-11,13H,1-9,12H2
InChIKeyPPHSJEMCCDBSFG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds3

About 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane

1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane (PubChem CID 97385700) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
PubChem CID97385700
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CCCN3CC3CC3)CC2)nc1
InChIInChI=1S/C16H23FN4/c17-14-10-18-15(19-11-14)20-8-5-16(6-9-20)4-1-7-21(16)12-13-2-3-13/h10-11,13H,1-9,12H2
InChIKeyPPHSJEMCCDBSFG-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
7-(Cyclobutylmethyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45193840
5-{[3-(1-Piperidinylmethyl)-1-piperidinyl]methyl}-2-(1-pyrrolidinyl)pyrimidine
CID 70744725
7-(Cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
CID 97392896
(3aS,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97402618
8-(Cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449515
1-[(2S,3aR,7aS)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460070
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460080
(3aR,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97510969
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 98777341
9-(5-Fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739503

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane (CID 97385700) is 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane is Fc1cnc(N2CCC3(CCCN3CC3CC3)CC2)nc1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
The InChIKey is PPHSJEMCCDBSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c17-14-10-18-15(19-11-14)20-8-5-16(6-9-20)4-1-7-21(16)12-13-2-3-13/h10-11,13H,1-9,12H2.
What are the key properties of 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane?
1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane has a molecular weight of 290.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97385700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).