ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate

C20H17N3O2 — CID 67679226

IUPACethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C20H17N3O2/c1-2-25-19(24)13-11-21-20(22-12-13)23-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-12,18H,2H2,1H3,(H,21,22,23)
InChIKeyDSAHBOMIXOMDPC-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.84
Rot. Bonds4

About ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate

ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate (PubChem CID 67679226) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate
PubChem CID67679226
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Nameethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C20H17N3O2/c1-2-25-19(24)13-11-21-20(22-12-13)23-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-12,18H,2H2,1H3,(H,21,22,23)
InChIKeyDSAHBOMIXOMDPC-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate
CID 157435209
ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine
CID 159182904
[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172509
ethyl 2-(3-azabicyclo[3.1.0]hexan-6-ylamino)pyrimidine-5-carboxylate
CID 59367592
ethyl 2-[(3-naphthalen-1-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-yl)amino]pyrimidine-5-carboxylate
CID 66876043
ethyl 2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidine-5-carboxylate
CID 169273988
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
ethyl 2-[[2-(cyclohexylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109250634
ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate;9H-fluoren-9-amine;fluoren-9-one;2-(9H-fluoren-9-ylmethyl)-N-hydroxypyrimidine-5-carboxamide;hydroxylamine;methane
CID 157435207
ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate
CID 101132857
ethyl (1S,2R,10R,11S)-9,18-dioxa-4-azapentacyclo[9.6.1.02,10.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaene-6-carboxylate
CID 23258988
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate (CID 67679226) is ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate?
The InChIKey is DSAHBOMIXOMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-25-19(24)13-11-21-20(22-12-13)23-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-12,18H,2H2,1H3,(H,21,22,23).
What are the key properties of ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate?
ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 67679226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).