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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Related Compounds

prop-1-en-2-yl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
CID 70301586
N-[(5-methylpyrimidin-2-yl)methyl]ethanamine
CID 63321145
tert-butyl N-[[5-(trideuteriomethyl)pyrimidin-2-yl]methyl]carbamate;[5-(trideuteriomethyl)pyrimidin-2-yl]methanamine;hydrochloride
CID 157455764
N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide
CID 126671005
3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[(5-methylpyrimidin-2-yl)methyl]but-2-enamide
CID 138666172
prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate
CID 88901077
(5-methylpyrimidin-2-yl)methanol
CID 23043337
tert-butyl N-[(5-fluoropyrimidin-2-yl)methyl]carbamate;(5-fluoropyrimidin-2-yl)methanamine;hydrochloride
CID 162004917
N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine
CID 169137398
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920
5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 155964290
1-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinoline-4-carboxamide
CID 106766441

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).