prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate

C10H13N3O2 — CID 89190546

IUPACprop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate
SMILESC=C(C)OC(=O)NCc1ncc(C)cn1
InChIInChI=1S/C10H13N3O2/c1-7(2)15-10(14)13-6-9-11-4-8(3)5-12-9/h4-5H,1,6H2,2-3H3,(H,13,14)
InChIKeyVXGMBCDZMVSBKW-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.54
Rot. Bonds3

About prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate

prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate (PubChem CID 89190546) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate
PubChem CID89190546
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Nameprop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate
SMILESC=C(C)OC(=O)NCc1ncc(C)cn1
InChIInChI=1S/C10H13N3O2/c1-7(2)15-10(14)13-6-9-11-4-8(3)5-12-9/h4-5H,1,6H2,2-3H3,(H,13,14)
InChIKeyVXGMBCDZMVSBKW-UHFFFAOYSA-N
XLogP1.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate (CID 89190546) is prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate is C=C(C)OC(=O)NCc1ncc(C)cn1.
What is the InChIKey of prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate?
The InChIKey is VXGMBCDZMVSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(2)15-10(14)13-6-9-11-4-8(3)5-12-9/h4-5H,1,6H2,2-3H3,(H,13,14).
What are the key properties of prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate?
prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[(5-methylpyrimidin-2-yl)methyl]carbamate is sourced from PubChem (CID 89190546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).