(5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate

C10H15N3O3 — CID 83823314

IUPAC(5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate
SMILESCc1cncnc1OC(=O)NCC(C)(C)O
InChIInChI=1S/C10H15N3O3/c1-7-4-11-6-13-8(7)16-9(14)12-5-10(2,3)15/h4,6,15H,5H2,1-3H3,(H,12,14)
InChIKeyUPEOHDDEWCVGQT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.64
Rot. Bonds3

About (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate

(5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate (PubChem CID 83823314) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Name(5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate
PubChem CID83823314
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate
SMILESCc1cncnc1OC(=O)NCC(C)(C)O
InChIInChI=1S/C10H15N3O3/c1-7-4-11-6-13-8(7)16-9(14)12-5-10(2,3)15/h4,6,15H,5H2,1-3H3,(H,12,14)
InChIKeyUPEOHDDEWCVGQT-UHFFFAOYSA-N
XLogP0.64
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate?
The IUPAC name of (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate (CID 83823314) is (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate.
What is the SMILES notation for (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate?
The canonical SMILES for (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate is Cc1cncnc1OC(=O)NCC(C)(C)O.
What is the InChIKey of (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate?
The InChIKey is UPEOHDDEWCVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-4-11-6-13-8(7)16-9(14)12-5-10(2,3)15/h4,6,15H,5H2,1-3H3,(H,12,14).
What are the key properties of (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate?
(5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate has a molecular weight of 225.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate is sourced from PubChem (CID 83823314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).