tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate

C15H23N3O4 — CID 147795105

IUPACtert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
SMILESCOc1cc(O[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C15H23N3O4/c1-10-6-11(8-18(10)14(19)22-15(2,3)4)21-13-7-12(20-5)16-9-17-13/h7,9-11H,6,8H2,1-5H3/t10-,11+/m0/s1
InChIKeyHKKDDDPYDNBSPW-WDEREUQCSA-N
MW309.37 g/mol
LogP2.26
Rot. Bonds3

About tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate (PubChem CID 147795105) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
PubChem CID147795105
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
SMILESCOc1cc(O[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C15H23N3O4/c1-10-6-11(8-18(10)14(19)22-15(2,3)4)21-13-7-12(20-5)16-9-17-13/h7,9-11H,6,8H2,1-5H3/t10-,11+/m0/s1
InChIKeyHKKDDDPYDNBSPW-WDEREUQCSA-N
XLogP2.26
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
(2S,4S)-4-(6-ethylpyrimidin-4-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24902618
tert-butyl (2S,4S)-2-methyl-4-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate
CID 59898021
tert-butyl (2S,4R)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-6-yloxy)pyrrolidine-1-carboxylate
CID 154675940
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyrimidin-4-yloxypyrrolidine-2-carboxylic acid
CID 24902616
tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 153373718
tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 156738685
2-bromopyrimidin-5-ol;tert-butyl (2S)-4-(2-bromopyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 164959148
tert-butyl (2S,4R)-4-furo[2,3-d]pyrimidin-4-yloxy-2-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;4-chlorofuro[2,3-d]pyrimidine
CID 165049993
methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate
CID 164602078
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate (CID 147795105) is tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate is COc1cc(O[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)ncn1.
What is the InChIKey of tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate?
The InChIKey is HKKDDDPYDNBSPW-WDEREUQCSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10-6-11(8-18(10)14(19)22-15(2,3)4)21-13-7-12(20-5)16-9-17-13/h7,9-11H,6,8H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 147795105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).