tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate

C19H24FN5O3 — CID 59576897

IUPACtert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
SMILESCn1c(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C19H24FN5O3/c1-19(2,3)28-18(27)25-10-13(20)15(11-25)23-17-22-14(9-16(26)24(17)4)12-5-7-21-8-6-12/h5-9,13,15H,10-11H2,1-4H3,(H,22,23)/t13-,15+/m0/s1
InChIKeyDKTPELNPPWAMAZ-DZGCQCFKSA-N
MW389.43 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate

tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate (PubChem CID 59576897) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
PubChem CID59576897
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Nametert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
SMILESCn1c(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C19H24FN5O3/c1-19(2,3)28-18(27)25-10-13(20)15(11-25)23-17-22-14(9-16(26)24(17)4)12-5-7-21-8-6-12/h5-9,13,15H,10-11H2,1-4H3,(H,22,23)/t13-,15+/m0/s1
InChIKeyDKTPELNPPWAMAZ-DZGCQCFKSA-N
XLogP2.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (5R)-6-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71128982
(3S,4S)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 67426438
tert-butyl 3-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 59576852
tert-butyl (3R)-3-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 59576928
tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 143560928
tert-butyl 2-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 59576772
tert-butyl 4-(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 136881552
2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595679
tert-butyl (3R,4R)-3-fluoro-4-[[5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]amino]pyrrolidine-1-carboxylate
CID 169259222
2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595671
tert-butyl (3S,4S)-3-fluoro-4-[(6-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 166962136
3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59793989

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate (CID 59576897) is tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate is Cn1c(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)nc(-c2ccncc2)cc1=O.
What is the InChIKey of tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate?
The InChIKey is DKTPELNPPWAMAZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-19(2,3)28-18(27)25-10-13(20)15(11-25)23-17-22-14(9-16(26)24(17)4)12-5-7-21-8-6-12/h5-9,13,15H,10-11H2,1-4H3,(H,22,23)/t13-,15+/m0/s1.
What are the key properties of tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate?
tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 59576897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).