8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

C19H23FN6O — CID 162351827

IUPAC8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2ccc(F)c(N)c2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H23FN6O/c1-12-11-23-18(24-13-2-3-14(20)15(21)10-13)25-16(12)26-8-5-19(6-9-26)4-7-22-17(19)27/h2-3,10-11H,4-9,21H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyDWFMCQDMISEREG-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.36
Rot. Bonds3

About 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162351827) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162351827
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2ccc(F)c(N)c2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H23FN6O/c1-12-11-23-18(24-13-2-3-14(20)15(21)10-13)25-16(12)26-8-5-19(6-9-26)4-7-22-17(19)27/h2-3,10-11H,4-9,21H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyDWFMCQDMISEREG-UHFFFAOYSA-N
XLogP2.36
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

C-1368
CID 9549303
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
BX-320
CID 657138
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
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231
2-Aminoquinazoline 31
CID 5330329
Pyrido[2,3-d]pyrimidin-7-one 6
CID 5330334
Pyrido[2,3-d]pyrimidin-7-one 8
CID 5330336

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 162351827) is 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(Nc2ccc(F)c(N)c2)nc1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DWFMCQDMISEREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-12-11-23-18(24-13-2-3-14(20)15(21)10-13)25-16(12)26-8-5-19(6-9-26)4-7-22-17(19)27/h2-3,10-11H,4-9,21H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 370.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-amino-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162351827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).