tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate

C10H15N3O3 — CID 141329462

IUPACtert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncncc1CO
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-8-7(5-14)4-11-6-12-8/h4,6,14H,5H2,1-3H3,(H,11,12,13,15)
InChIKeyPCRQZLAACJGKLV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate

tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate (PubChem CID 141329462) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate
PubChem CID141329462
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nametert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncncc1CO
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-8-7(5-14)4-11-6-12-8/h4,6,14H,5H2,1-3H3,(H,11,12,13,15)
InChIKeyPCRQZLAACJGKLV-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-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-[6-chloro-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 131744150
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
tert-butyl N-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]carbamate
CID 115714879
tert-butyl N-[2-benzylsulfanyl-5-(hydroxymethyl)pyrimidin-4-yl]carbamate
CID 170992890
tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate
CID 138494591
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate
CID 146287930
tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
CID 20624434
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate (CID 141329462) is tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate is CC(C)(C)OC(=O)Nc1ncncc1CO.
What is the InChIKey of tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate?
The InChIKey is PCRQZLAACJGKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-8-7(5-14)4-11-6-12-8/h4,6,14H,5H2,1-3H3,(H,11,12,13,15).
What are the key properties of tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate?
tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-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-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 141329462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).