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

C9H14N4O2 — CID 83820797

IUPAC(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1cc(C)ncn1
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)15-9(14)11-4-3-10-2/h5-6,10H,3-4H2,1-2H3,(H,11,14)
InChIKeyONSSWTHJPPNHPS-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.09
Rot. Bonds4

About (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate

(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate (PubChem CID 83820797) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
PubChem CID83820797
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1cc(C)ncn1
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)15-9(14)11-4-3-10-2/h5-6,10H,3-4H2,1-2H3,(H,11,14)
InChIKeyONSSWTHJPPNHPS-UHFFFAOYSA-N
XLogP0.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-2-propyl-4-pyrimidinyl N,N-dimethylcarbamate
CID 17325
2-(Dimethylamino)-6-methylpyrimidin-4-yl dimethylcarbamate
CID 14054371
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
CID 54163373
2-(Dimethylamino)-6-methylpyrimidin-4-yl diethylcarbamate
CID 76327438
US20240336571, Example 52
CID 168955824
US20240336571, Example 51
CID 168955854
(6-Methoxypyrimidin-4-yl)methanamine dihydrochloride
CID 138991139
[6-methyl-2-(methylamino)pyrimidin-4-yl] N,N-dimethylcarbamate
CID 76309315
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-diethylcarbamate
CID 76316536
(2-methoxy-6-methylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 76320254
(2,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 76331132
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823316

Frequently Asked Questions

What is the IUPAC name of (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate (CID 83820797) is (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)Oc1cc(C)ncn1.
What is the InChIKey of (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate?
The InChIKey is ONSSWTHJPPNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-5-8(13-6-12-7)15-9(14)11-4-3-10-2/h5-6,10H,3-4H2,1-2H3,(H,11,14).
What are the key properties of (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate?
(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate has a molecular weight of 210.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 83820797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).