tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate

C10H15N3O3 — CID 83854419

IUPACtert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc(CO)n1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-8-11-5-4-7(6-14)12-8/h4-5,14H,6H2,1-3H3,(H,11,12,13,15)
InChIKeyVYYMSLBQLGZGGA-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate

tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate (PubChem CID 83854419) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
PubChem CID83854419
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nametert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc(CO)n1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-8-11-5-4-7(6-14)12-8/h4-5,14H,6H2,1-3H3,(H,11,12,13,15)
InChIKeyVYYMSLBQLGZGGA-UHFFFAOYSA-N
XLogP1.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
CID 11075458
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,5-triazin-2-yl]acetic acid
CID 53416267
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate
CID 146287930
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl (2S)-4-(2-aminopyrimidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 102115121
4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 175667065
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate (CID 83854419) is tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nccc(CO)n1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate?
The InChIKey is VYYMSLBQLGZGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-8-11-5-4-7(6-14)12-8/h4-5,14H,6H2,1-3H3,(H,11,12,13,15).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate?
tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate has a molecular weight of 225.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate is sourced from PubChem (CID 83854419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).