tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate

C15H24N4O2 — CID 107092259

IUPACtert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate
SMILESCNC(c1cncnc1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-6-5-11(9-19)13(16-4)12-7-17-10-18-8-12/h7-8,10-11,13,16H,5-6,9H2,1-4H3
InChIKeyVZCACBITRLXDDW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 107092259) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID107092259
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate
SMILESCNC(c1cncnc1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-6-5-11(9-19)13(16-4)12-7-17-10-18-8-12/h7-8,10-11,13,16H,5-6,9H2,1-4H3
InChIKeyVZCACBITRLXDDW-UHFFFAOYSA-N
XLogP1.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(1-ethylpyrazol-4-yl)-(methylamino)methyl]pyrrolidine-1-carboxylate
CID 107092239
tert-butyl 3-[methylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092466
tert-butyl 3-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]pyrrolidine-1-carboxylate
CID 107092671
tert-butyl 3-[(3-bromofuran-2-yl)-(methylamino)methyl]pyrrolidine-1-carboxylate
CID 107092435
tert-butyl 3-[methylamino-(2-propylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092403
tert-butyl 3-[ethylamino-(6-methyl-3-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 107092382
tert-butyl 3-[4,4-dimethyl-1-(methylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092341
tert-butyl 3-[(3,4-dichlorophenyl)-hydrazinylmethyl]pyrrolidine-1-carboxylate
CID 107093075
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-[ethylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092467
tert-butyl 3-[ethylamino-(3-fluoro-4-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 107092697
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate (CID 107092259) is tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate is CNC(c1cncnc1)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is VZCACBITRLXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-6-5-11(9-19)13(16-4)12-7-17-10-18-8-12/h7-8,10-11,13,16H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methylamino(pyrimidin-5-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).