8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

C19H22FN5O — CID 162351807

IUPAC8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2ccc(F)cc2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H22FN5O/c1-13-12-22-18(23-15-4-2-14(20)3-5-15)24-16(13)25-10-7-19(8-11-25)6-9-21-17(19)26/h2-5,12H,6-11H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyMKFPSGVBCBXTGE-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.77
Rot. Bonds3

About 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162351807) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162351807
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2ccc(F)cc2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H22FN5O/c1-13-12-22-18(23-15-4-2-14(20)3-5-15)24-16(13)25-10-7-19(8-11-25)6-9-21-17(19)26/h2-5,12H,6-11H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyMKFPSGVBCBXTGE-UHFFFAOYSA-N
XLogP2.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
Imanixil
CID 216289
BX-320
CID 657138
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 162351807) is 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(Nc2ccc(F)cc2)nc1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MKFPSGVBCBXTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13-12-22-18(23-15-4-2-14(20)3-5-15)24-16(13)25-10-7-19(8-11-25)6-9-21-17(19)26/h2-5,12H,6-11H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 355.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162351807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).