2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate

C9H14N4O2 — CID 83211810

IUPAC2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
SMILESCc1nccc(CNCCOC(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-7-12-3-2-8(13-7)6-11-4-5-15-9(10)14/h2-3,11H,4-6H2,1H3,(H2,10,14)
InChIKeyAVHAQZKHLQMWAC-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.03
Rot. Bonds5

About 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate

2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate (PubChem CID 83211810) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
PubChem CID83211810
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
SMILESCc1nccc(CNCCOC(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-7-12-3-2-8(13-7)6-11-4-5-15-9(10)14/h2-3,11H,4-6H2,1H3,(H2,10,14)
InChIKeyAVHAQZKHLQMWAC-UHFFFAOYSA-N
XLogP-0.03
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
CID 114266326
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114465996
N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 62326409
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N'-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanimidamide
CID 77030166
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
2-but-3-enoxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 106397557
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
2-(quinoxalin-2-ylmethylamino)ethyl carbamate
CID 83211992

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate (CID 83211810) is 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate is Cc1nccc(CNCCOC(N)=O)n1.
What is the InChIKey of 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate?
The InChIKey is AVHAQZKHLQMWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-12-3-2-8(13-7)6-11-4-5-15-9(10)14/h2-3,11H,4-6H2,1H3,(H2,10,14).
What are the key properties of 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate?
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate has a molecular weight of 210.24 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83211810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).