tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate

C14H23N3O6 — CID 170832495

IUPACtert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ncc(C(O)C(O)CNC(=O)OC(C)(C)C)c(OC)n1
InChIInChI=1S/C14H23N3O6/c1-14(2,3)23-13(20)16-7-9(18)10(19)8-6-15-12(22-5)17-11(8)21-4/h6,9-10,18-19H,7H2,1-5H3,(H,16,20)
InChIKeyUOERGBNLJZFZCC-UHFFFAOYSA-N
MW329.35 g/mol
LogP0.41
Rot. Bonds6

About tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170832495) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170832495
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Nametert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ncc(C(O)C(O)CNC(=O)OC(C)(C)C)c(OC)n1
InChIInChI=1S/C14H23N3O6/c1-14(2,3)23-13(20)16-7-9(18)10(19)8-6-15-12(22-5)17-11(8)21-4/h6,9-10,18-19H,7H2,1-5H3,(H,16,20)
InChIKeyUOERGBNLJZFZCC-UHFFFAOYSA-N
XLogP0.41
TPSA123.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170832220
methyl 5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrimidine-2-carboxylate
CID 170832490
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[3-(2-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831836
tert-butyl N-[2,3-dihydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]carbamate
CID 170832479
tert-butyl N-[2,3-dihydroxy-3-(2-methoxy-4-methylphenyl)propyl]carbamate
CID 170832048
tert-butyl N-[3-(2,3-dihydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833404
N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830052
tert-butyl N-[2,3-dihydroxy-3-(5-methyl-1,3-thiazol-2-yl)propyl]carbamate
CID 170831524
4-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-pyrazole-5-carboxylic acid
CID 170831798
tert-butyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate (CID 170832495) is tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate is COc1ncc(C(O)C(O)CNC(=O)OC(C)(C)C)c(OC)n1.
What is the InChIKey of tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is UOERGBNLJZFZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-14(2,3)23-13(20)16-7-9(18)10(19)8-6-15-12(22-5)17-11(8)21-4/h6,9-10,18-19H,7H2,1-5H3,(H,16,20).
What are the key properties of tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 329.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170832495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).