(5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate

C9H13N3O3 — CID 83820913

IUPAC(5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate
SMILESCc1cncnc1OC(=O)NCC(C)O
InChIInChI=1S/C9H13N3O3/c1-6-3-10-5-12-8(6)15-9(14)11-4-7(2)13/h3,5,7,13H,4H2,1-2H3,(H,11,14)
InChIKeyGOODGNDMQUNIAV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.25
Rot. Bonds3

About (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate

(5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate (PubChem CID 83820913) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Name(5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate
PubChem CID83820913
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate
SMILESCc1cncnc1OC(=O)NCC(C)O
InChIInChI=1S/C9H13N3O3/c1-6-3-10-5-12-8(6)15-9(14)11-4-7(2)13/h3,5,7,13H,4H2,1-2H3,(H,11,14)
InChIKeyGOODGNDMQUNIAV-UHFFFAOYSA-N
XLogP0.25
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.25
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-hydroxypropyl)carbamate?
The IUPAC name of (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate (CID 83820913) is (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate?
The canonical SMILES for (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate is Cc1cncnc1OC(=O)NCC(C)O.
What is the InChIKey of (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate?
The InChIKey is GOODGNDMQUNIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-3-10-5-12-8(6)15-9(14)11-4-7(2)13/h3,5,7,13H,4H2,1-2H3,(H,11,14).
What are the key properties of (5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate?
(5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.25, 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-hydroxypropyl)carbamate is sourced from PubChem (CID 83820913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).